(2Z)-5-cyclopropylimino-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolan-3-one

C15H13N3O2 — CID 123382085

IUPAC(2Z)-5-cyclopropylimino-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolan-3-one
SMILESO=C1C/C(=N\C2CC2)O/C1=C\c1c[nH]c2ncccc12
InChIInChI=1S/C15H13N3O2/c19-12-7-14(18-10-3-4-10)20-13(12)6-9-8-17-15-11(9)2-1-5-16-15/h1-2,5-6,8,10H,3-4,7H2,(H,16,17)/b13-6-,18-14+
InChIKeySSNBBDKBMPQJJD-YKWUFQCZSA-N
MW267.29 g/mol
LogP2.45
Rot. Bonds2

About (2Z)-5-cyclopropylimino-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolan-3-one

(2Z)-5-cyclopropylimino-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolan-3-one (PubChem CID 123382085) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is (2Z)-5-cyclopropylimino-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolan-3-one.

Molecular Properties

Compound Name(2Z)-5-cyclopropylimino-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolan-3-one
PubChem CID123382085
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name(2Z)-5-cyclopropylimino-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolan-3-one
SMILESO=C1C/C(=N\C2CC2)O/C1=C\c1c[nH]c2ncccc12
InChIInChI=1S/C15H13N3O2/c19-12-7-14(18-10-3-4-10)20-13(12)6-9-8-17-15-11(9)2-1-5-16-15/h1-2,5-6,8,10H,3-4,7H2,(H,16,17)/b13-6-,18-14+
InChIKeySSNBBDKBMPQJJD-YKWUFQCZSA-N
XLogP2.45
TPSA67.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (2Z)-5-cyclopropylimino-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2Z)-5-[(2,6-dimethyl-3-pyridinyl)imino]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolan-3-one
CID 123525534
(2Z)-5-[(3-methylthiophen-2-yl)methylimino]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolan-3-one
CID 86766024
4-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1,2-benzoxazin-3-one
CID 142655644
propan-2-yl (5Z)-2-(dimethylhydrazinylidene)-4-oxo-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolane-3-carboxylate
CID 123442335
ethyl (5Z)-2-(4-nitrophenyl)imino-4-oxo-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolane-3-carboxylate
CID 123475114
ethyl (5Z)-2-(2-hydroxypropylimino)-4-oxo-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolane-3-carboxylate
CID 123378441
(5Z)-2-(4-fluoroanilino)-3-(1-hydroxycyclohexyl)-4-oxo-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolane-3-carboxylic acid
CID 135184512
3-hydroxypropyl (2Z,5Z)-2-morpholin-4-ylimino-4-oxo-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolane-3-carboxylate
CID 123783691
N-(4-bromophenyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-3H-furan-5-amine
CID 141344305
6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-one;(2Z)-6-hydroxy-7-[(4-methylpiperazin-1-yl)methyl]-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1-benzofuran-3-one
CID 159082291
ethyl (5Z)-2-(2-methoxyphenyl)imino-4-oxo-5-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolane-3-carboxylate
CID 123204057
(2Z)-6-methoxy-7-(piperazin-1-ylmethyl)-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)-1-benzofuran-3-one
CID 54576042

Frequently Asked Questions

What is the IUPAC name of (2Z)-5-cyclopropylimino-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolan-3-one?
The IUPAC name of (2Z)-5-cyclopropylimino-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolan-3-one (CID 123382085) is (2Z)-5-cyclopropylimino-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolan-3-one.
What is the SMILES notation for (2Z)-5-cyclopropylimino-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolan-3-one?
The canonical SMILES for (2Z)-5-cyclopropylimino-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolan-3-one is O=C1C/C(=N\C2CC2)O/C1=C\c1c[nH]c2ncccc12.
What is the InChIKey of (2Z)-5-cyclopropylimino-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolan-3-one?
The InChIKey is SSNBBDKBMPQJJD-YKWUFQCZSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-12-7-14(18-10-3-4-10)20-13(12)6-9-8-17-15-11(9)2-1-5-16-15/h1-2,5-6,8,10H,3-4,7H2,(H,16,17)/b13-6-,18-14+.
What are the key properties of (2Z)-5-cyclopropylimino-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolan-3-one?
(2Z)-5-cyclopropylimino-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolan-3-one has a molecular weight of 267.29 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-5-cyclopropylimino-2-(1H-pyrrolo[2,3-b]pyridin-3-ylmethylidene)oxolan-3-one is sourced from PubChem (CID 123382085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).