N-[(E)-1H-indol-3-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide

C17H19N3O — CID 135646971

IUPACN-[(E)-1H-indol-3-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)C1C2CCCCC21
InChIInChI=1S/C17H19N3O/c21-17(16-13-6-1-2-7-14(13)16)20-19-10-11-9-18-15-8-4-3-5-12(11)15/h3-5,8-10,13-14,16,18H,1-2,6-7H2,(H,20,21)/b19-10+
InChIKeyOULDITXIYNXNCL-VXLYETTFSA-N
MW281.36 g/mol
LogP3.05
Rot. Bonds3

About N-[(E)-1H-indol-3-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide

N-[(E)-1H-indol-3-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 135646971) has the molecular formula C17H19N3O and a molecular weight of 281.36 g/mol. Its IUPAC name is N-[(E)-1H-indol-3-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-[(E)-1H-indol-3-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID135646971
Molecular FormulaC17H19N3O
Molecular Weight281.36 g/mol
Exact Mass281.15
IUPAC NameN-[(E)-1H-indol-3-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
SMILESO=C(N/N=C/c1c[nH]c2ccccc12)C1C2CCCCC21
InChIInChI=1S/C17H19N3O/c21-17(16-13-6-1-2-7-14(13)16)20-19-10-11-9-18-15-8-4-3-5-12(11)15/h3-5,8-10,13-14,16,18H,1-2,6-7H2,(H,20,21)/b19-10+
InChIKeyOULDITXIYNXNCL-VXLYETTFSA-N
XLogP3.05
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.05
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

(1R,6S)-N-[(E)-1H-indol-3-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 135733521
N-(1H-indol-3-ylmethylideneamino)cyclobutanecarboxamide
CID 154480630
N-(1H-indol-3-ylmethylideneamino)-N'-[(E)-1H-indol-3-ylmethylideneamino]oxamide
CID 135810504
N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 135504408
N-[(2-hydroxyphenyl)methylideneamino]bicyclo[6.1.0]nonane-9-carboxamide
CID 136914428
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)-(2,3-dihydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 135403161
5-N-[(E)-1H-indol-3-ylmethylideneamino]-2-N-[(Z)-1H-indol-3-ylmethylideneamino]furan-2,5-dicarboxamide
CID 135782076

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-[(E)-1H-indol-3-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide (CID 135646971) is N-[(E)-1H-indol-3-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-[(E)-1H-indol-3-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-[(E)-1H-indol-3-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is O=C(N/N=C/c1c[nH]c2ccccc12)C1C2CCCCC21.
What is the InChIKey of N-[(E)-1H-indol-3-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is OULDITXIYNXNCL-VXLYETTFSA-N. The full InChI is InChI=1S/C17H19N3O/c21-17(16-13-6-1-2-7-14(13)16)20-19-10-11-9-18-15-8-4-3-5-12(11)15/h3-5,8-10,13-14,16,18H,1-2,6-7H2,(H,20,21)/b19-10+.
What are the key properties of N-[(E)-1H-indol-3-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
N-[(E)-1H-indol-3-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 3.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1H-indol-3-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 135646971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).