1-[(Z)-prop-1-enyl]-4H-azepin-7-imine

C9H12N2 — CID 142470848

IUPAC1-[(Z)-prop-1-enyl]-4H-azepin-7-imine
SMILES[H]/N=C1\C=CCC=CN1/C=C\C
InChIInChI=1S/C9H12N2/c1-2-7-11-8-5-3-4-6-9(11)10/h2,4-8,10H,3H2,1H3/b7-2-,10-9+
InChIKeyWUDJTYKVPCCJPV-DYYJZLOQSA-N
MW148.21 g/mol
LogP2.27
Rot. Bonds1

About 1-[(Z)-prop-1-enyl]-4H-azepin-7-imine

1-[(Z)-prop-1-enyl]-4H-azepin-7-imine (PubChem CID 142470848) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 1-[(Z)-prop-1-enyl]-4H-azepin-7-imine.

Molecular Properties

Compound Name1-[(Z)-prop-1-enyl]-4H-azepin-7-imine
PubChem CID142470848
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name1-[(Z)-prop-1-enyl]-4H-azepin-7-imine
SMILES[H]/N=C1\C=CCC=CN1/C=C\C
InChIInChI=1S/C9H12N2/c1-2-7-11-8-5-3-4-6-9(11)10/h2,4-8,10H,3H2,1H3/b7-2-,10-9+
InChIKeyWUDJTYKVPCCJPV-DYYJZLOQSA-N
XLogP2.27
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.21
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-[(Z)-prop-1-enyl]-2,3-dihydropyridin-6-imine
CID 90136917
N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
CID 118674850
N-[(Z)-prop-1-enyl]-N-[(E)-prop-1-enyl]prop-2-enimidamide
CID 132198310
1-Ethyl-5-iodo-5-methylazepin-2-imine
CID 139543801
1-methyl-3H-azepin-2-imine
CID 141023876
ethane;1-[(Z)-prop-1-enyl]-4H-azepin-7-imine
CID 142470847
ethane;N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
CID 142470851
ethane;N-ethenyl-N-[(Z)-prop-1-enyl]prop-2-enimidamide
CID 142516296
5-methyl-1-[(E)-prop-1-enyl]pyridin-2-imine
CID 143545210
N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane;methane
CID 144672572
ethane;5-ethyl-5-methyl-1-[(Z)-3-methylbut-1-enyl]azepin-2-imine
CID 144812786
N-[(Z)-but-1-enyl]-N-ethenylprop-2-enimidamide;ethane
CID 145001551

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-prop-1-enyl]-4H-azepin-7-imine?
The IUPAC name of 1-[(Z)-prop-1-enyl]-4H-azepin-7-imine (CID 142470848) is 1-[(Z)-prop-1-enyl]-4H-azepin-7-imine.
What is the SMILES notation for 1-[(Z)-prop-1-enyl]-4H-azepin-7-imine?
The canonical SMILES for 1-[(Z)-prop-1-enyl]-4H-azepin-7-imine is [H]/N=C1\C=CCC=CN1/C=C\C.
What is the InChIKey of 1-[(Z)-prop-1-enyl]-4H-azepin-7-imine?
The InChIKey is WUDJTYKVPCCJPV-DYYJZLOQSA-N. The full InChI is InChI=1S/C9H12N2/c1-2-7-11-8-5-3-4-6-9(11)10/h2,4-8,10H,3H2,1H3/b7-2-,10-9+.
What are the key properties of 1-[(Z)-prop-1-enyl]-4H-azepin-7-imine?
1-[(Z)-prop-1-enyl]-4H-azepin-7-imine has a molecular weight of 148.21 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-prop-1-enyl]-4H-azepin-7-imine is sourced from PubChem (CID 142470848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).