3-[[(6-methyl-2-pyridinyl)amino]methylidene]oxolan-2-one

C11H12N2O2 — CID 4183072

IUPAC3-[[(6-methyl-2-pyridinyl)amino]methylidene]oxolan-2-one
SMILESCc1cccc(NC=C2CCOC2=O)n1
InChIInChI=1S/C11H12N2O2/c1-8-3-2-4-10(13-8)12-7-9-5-6-15-11(9)14/h2-4,7H,5-6H2,1H3,(H,12,13)
InChIKeyQRVAARZTRXUOQS-UHFFFAOYSA-N
MW204.23 g/mol
LogP1.63
Rot. Bonds2

About 3-[[(6-methyl-2-pyridinyl)amino]methylidene]oxolan-2-one

3-[[(6-methyl-2-pyridinyl)amino]methylidene]oxolan-2-one (PubChem CID 4183072) has the molecular formula C11H12N2O2 and a molecular weight of 204.23 g/mol. Its IUPAC name is 3-[[(6-methyl-2-pyridinyl)amino]methylidene]oxolan-2-one.

Molecular Properties

Compound Name3-[[(6-methyl-2-pyridinyl)amino]methylidene]oxolan-2-one
PubChem CID4183072
Molecular FormulaC11H12N2O2
Molecular Weight204.23 g/mol
Exact Mass204.09
IUPAC Name3-[[(6-methyl-2-pyridinyl)amino]methylidene]oxolan-2-one
SMILESCc1cccc(NC=C2CCOC2=O)n1
InChIInChI=1S/C11H12N2O2/c1-8-3-2-4-10(13-8)12-7-9-5-6-15-11(9)14/h2-4,7H,5-6H2,1H3,(H,12,13)
InChIKeyQRVAARZTRXUOQS-UHFFFAOYSA-N
XLogP1.63
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.23
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-4-[(6-methyl-2-pyridinyl)amino]but-3-en-2-one
CID 131241368
(3E)-3-[(4-methylphenyl)methylidene]oxolan-2-one
CID 6071028
N-(6-methyl-2-pyridinyl)-2,3-dihydrofuran-4-carboxamide
CID 137320706
N-iodo-6-methylpyridin-2-amine
CID 134375052
(2R)-N-(6-methyl-2-pyridinyl)oxolane-2-carboxamide
CID 40572544
6-methyl-N-methylsulfanylpyridin-2-amine
CID 129181799
(3E)-3-[(2,6-dichlorophenyl)methylidene]oxolan-2-one
CID 171376642
N-diaminophosphoryl-6-methylpyridin-2-amine
CID 87804040
N-(6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 708615
(3R)-N-(6-methyl-2-pyridinyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 886351
1-N,4-N-bis(6-methyl-2-pyridinyl)cyclohexane-1,4-dicarboxamide
CID 25469709
2-methyl-7H-furo[3,4-b]pyridin-5-one
CID 58478770

Frequently Asked Questions

What is the IUPAC name of 3-[[(6-methyl-2-pyridinyl)amino]methylidene]oxolan-2-one?
The IUPAC name of 3-[[(6-methyl-2-pyridinyl)amino]methylidene]oxolan-2-one (CID 4183072) is 3-[[(6-methyl-2-pyridinyl)amino]methylidene]oxolan-2-one.
What is the SMILES notation for 3-[[(6-methyl-2-pyridinyl)amino]methylidene]oxolan-2-one?
The canonical SMILES for 3-[[(6-methyl-2-pyridinyl)amino]methylidene]oxolan-2-one is Cc1cccc(NC=C2CCOC2=O)n1.
What is the InChIKey of 3-[[(6-methyl-2-pyridinyl)amino]methylidene]oxolan-2-one?
The InChIKey is QRVAARZTRXUOQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O2/c1-8-3-2-4-10(13-8)12-7-9-5-6-15-11(9)14/h2-4,7H,5-6H2,1H3,(H,12,13).
What are the key properties of 3-[[(6-methyl-2-pyridinyl)amino]methylidene]oxolan-2-one?
3-[[(6-methyl-2-pyridinyl)amino]methylidene]oxolan-2-one has a molecular weight of 204.23 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(6-methyl-2-pyridinyl)amino]methylidene]oxolan-2-one is sourced from PubChem (CID 4183072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).