N-(1H-indol-3-ylmethylideneamino)cyclobutanecarboxamide

C14H15N3O — CID 154480630

IUPACN-(1H-indol-3-ylmethylideneamino)cyclobutanecarboxamide
SMILESO=C(NN=Cc1c[nH]c2ccccc12)C1CCC1
InChIInChI=1S/C14H15N3O/c18-14(10-4-3-5-10)17-16-9-11-8-15-13-7-2-1-6-12(11)13/h1-2,6-10,15H,3-5H2,(H,17,18)
InChIKeyHDTWETXROXGIHK-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.42
Rot. Bonds3

About N-(1H-indol-3-ylmethylideneamino)cyclobutanecarboxamide

N-(1H-indol-3-ylmethylideneamino)cyclobutanecarboxamide (PubChem CID 154480630) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethylideneamino)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethylideneamino)cyclobutanecarboxamide
PubChem CID154480630
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC NameN-(1H-indol-3-ylmethylideneamino)cyclobutanecarboxamide
SMILESO=C(NN=Cc1c[nH]c2ccccc12)C1CCC1
InChIInChI=1S/C14H15N3O/c18-14(10-4-3-5-10)17-16-9-11-8-15-13-7-2-1-6-12(11)13/h1-2,6-10,15H,3-5H2,(H,17,18)
InChIKeyHDTWETXROXGIHK-UHFFFAOYSA-N
XLogP2.42
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[(E)-1H-indol-3-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 135646971
(1R,6S)-N-[(E)-1H-indol-3-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 135733521
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
1-hydroxy-3-(1H-indol-3-ylmethylideneamino)urea
CID 137212579
N-(1H-indol-3-ylmethylideneamino)benzamide
CID 678357
N-[(E)-1H-indol-3-ylmethylideneamino]-N'-[(Z)-1H-indol-3-ylmethylideneamino]butanediamide
CID 136861417
(3S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 136750115
N'-[(E)-1H-indol-3-ylmethylideneamino]-N-methyloxamide
CID 135814043
N-[(E)-1H-indol-3-ylmethylideneamino]-4-pyrrolidin-1-ylbenzamide
CID 135818917
5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide
CID 135782076
(3S)-N-[(Z)-1H-indol-3-ylmethylideneamino]-1-(4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 136732448
N'-[(Z)-1H-indol-3-ylmethylideneamino]-N-phenyloxamide
CID 136730238

Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-3-ylmethylideneamino)cyclobutanecarboxamide?
The IUPAC name of N-(1H-indol-3-ylmethylideneamino)cyclobutanecarboxamide (CID 154480630) is N-(1H-indol-3-ylmethylideneamino)cyclobutanecarboxamide.
What is the SMILES notation for N-(1H-indol-3-ylmethylideneamino)cyclobutanecarboxamide?
The canonical SMILES for N-(1H-indol-3-ylmethylideneamino)cyclobutanecarboxamide is O=C(NN=Cc1c[nH]c2ccccc12)C1CCC1.
What is the InChIKey of N-(1H-indol-3-ylmethylideneamino)cyclobutanecarboxamide?
The InChIKey is HDTWETXROXGIHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c18-14(10-4-3-5-10)17-16-9-11-8-15-13-7-2-1-6-12(11)13/h1-2,6-10,15H,3-5H2,(H,17,18).
What are the key properties of N-(1H-indol-3-ylmethylideneamino)cyclobutanecarboxamide?
N-(1H-indol-3-ylmethylideneamino)cyclobutanecarboxamide has a molecular weight of 241.29 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethylideneamino)cyclobutanecarboxamide is sourced from PubChem (CID 154480630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).