N-[(4-cyanophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide

C16H17N3O — CID 2833020

IUPACN-[(4-cyanophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
SMILESN#Cc1ccc(C=NNC(=O)C2C3CCCCC32)cc1
InChIInChI=1S/C16H17N3O/c17-9-11-5-7-12(8-6-11)10-18-19-16(20)15-13-3-1-2-4-14(13)15/h5-8,10,13-15H,1-4H2,(H,19,20)
InChIKeyOZAZYIZGOWUBOX-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.44
Rot. Bonds3

About N-[(4-cyanophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide

N-[(4-cyanophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 2833020) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID2833020
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC NameN-[(4-cyanophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
SMILESN#Cc1ccc(C=NNC(=O)C2C3CCCCC32)cc1
InChIInChI=1S/C16H17N3O/c17-9-11-5-7-12(8-6-11)10-18-19-16(20)15-13-3-1-2-4-14(13)15/h5-8,10,13-15H,1-4H2,(H,19,20)
InChIKeyOZAZYIZGOWUBOX-UHFFFAOYSA-N
XLogP2.44
TPSA65.25 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

methyl N-[(4-cyanophenyl)methylideneamino]carbamate
CID 833047
(1R,6S)-N-[(Z)-(3-hydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 5406214
(1R,6R)-N-[(Z)-1,3-benzodioxol-5-ylmethylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 98104669
[[4-(4-cyanophenyl)phenyl]methylideneamino]urea
CID 168532335
(1R,8S)-N-[(Z)-(4-bromophenyl)methylideneamino]bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 6738899
(1S,4Z,8S)-N-[(Z)-(4-bromophenyl)methylideneamino]bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 7348527
(1R,6R)-N-[(E)-(3-chlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 98048536
N-[(4-nitrophenyl)methylideneamino]bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 5022833
(1R,4Z,8R)-N-[(Z)-(4-nitrophenyl)methylideneamino]bicyclo[6.1.0]non-4-ene-9-carboxamide
CID 11914006
N-[(4-cyanophenyl)methylideneamino]-4-(cyclopropanecarbonylamino)benzamide
CID 920978
N-[(E)-(2-hydroxyphenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 135504408
N-[(2,6-dichlorophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide
CID 5038735

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide (CID 2833020) is N-[(4-cyanophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is N#Cc1ccc(C=NNC(=O)C2C3CCCCC32)cc1.
What is the InChIKey of N-[(4-cyanophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is OZAZYIZGOWUBOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c17-9-11-5-7-12(8-6-11)10-18-19-16(20)15-13-3-1-2-4-14(13)15/h5-8,10,13-15H,1-4H2,(H,19,20).
What are the key properties of N-[(4-cyanophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide?
N-[(4-cyanophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 267.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methylideneamino]bicyclo[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 2833020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).