N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-(1H-indol-2-yl)acetamide

C17H19N3O — CID 5413481

IUPACN-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-(1H-indol-2-yl)acetamide
SMILESO=C(Cc1cc2ccccc2[nH]1)N/N=C\[C@@H]1CC=CCC1
InChIInChI=1S/C17H19N3O/c21-17(20-18-12-13-6-2-1-3-7-13)11-15-10-14-8-4-5-9-16(14)19-15/h1-2,4-5,8-10,12-13,19H,3,6-7,11H2,(H,20,21)/b18-12-/t13-/m1/s1
InChIKeyMAFHAMKFXJWOPL-FDIDITGRSA-N
MW281.36 g/mol
LogP3.17
Rot. Bonds4

About N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-(1H-indol-2-yl)acetamide

N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-(1H-indol-2-yl)acetamide (PubChem CID 5413481) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-(1H-indol-2-yl)acetamide.

Molecular Properties

Compound NameN-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-(1H-indol-2-yl)acetamide
PubChem CID5413481
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-(1H-indol-2-yl)acetamide
SMILESO=C(Cc1cc2ccccc2[nH]1)N/N=C\[C@@H]1CC=CCC1
InChIInChI=1S/C17H19N3O/c21-17(20-18-12-13-6-2-1-3-7-13)11-15-10-14-8-4-5-9-16(14)19-15/h1-2,4-5,8-10,12-13,19H,3,6-7,11H2,(H,20,21)/b18-12-/t13-/m1/s1
InChIKeyMAFHAMKFXJWOPL-FDIDITGRSA-N
XLogP3.17
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclohex-3-en-1-ylmethylideneamino)-2-naphthalen-2-yloxyacetamide
CID 5202490
N-[(Z)-(3-chlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide
CID 134876078
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-2-(1H-indol-2-yl)acetamide
CID 5413730
2-(1H-indol-2-yl)-N-[(5-methylfuran-2-yl)methylideneamino]acetamide
CID 3574124
N-tert-butyl-2-(1H-indol-2-yl)acetamide
CID 3274953
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-4-(phenoxymethyl)benzamide
CID 8518160
2-(1H-indol-2-yl)-N-[5-[(1R,3R)-3-[5-[[2-(1H-indol-2-yl)acetyl]amino]-1,3,4-thiadiazol-2-yl]cyclohexyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 90163217
N-(cyclohex-3-en-1-ylmethylideneamino)-3,4,5-triethoxybenzamide
CID 4284362
N-[(Z)-[(1R)-cyclohex-3-en-1-yl]methylideneamino]-2-pyridin-2-ylquinoline-4-carboxamide
CID 9078711
ethanol;2-(1H-indol-2-yl)acetic acid
CID 157082351
N-[2-(1H-indol-2-yl)ethylidene]hydroxylamine
CID 87248859
methyl 2-(1H-indol-2-ylmethyl)prop-2-enoate
CID 68733352

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-(1H-indol-2-yl)acetamide?
The IUPAC name of N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-(1H-indol-2-yl)acetamide (CID 5413481) is N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-(1H-indol-2-yl)acetamide.
What is the SMILES notation for N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-(1H-indol-2-yl)acetamide?
The canonical SMILES for N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-(1H-indol-2-yl)acetamide is O=C(Cc1cc2ccccc2[nH]1)N/N=C\[C@@H]1CC=CCC1.
What is the InChIKey of N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-(1H-indol-2-yl)acetamide?
The InChIKey is MAFHAMKFXJWOPL-FDIDITGRSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(20-18-12-13-6-2-1-3-7-13)11-15-10-14-8-4-5-9-16(14)19-15/h1-2,4-5,8-10,12-13,19H,3,6-7,11H2,(H,20,21)/b18-12-/t13-/m1/s1.
What are the key properties of N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-(1H-indol-2-yl)acetamide?
N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-(1H-indol-2-yl)acetamide has a molecular weight of 281.36 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[(1S)-cyclohex-3-en-1-yl]methylideneamino]-2-(1H-indol-2-yl)acetamide is sourced from PubChem (CID 5413481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).