6-cyclopropyl-3,4-dihydroazepin-2-imine

C9H12N2 — CID 123190073

IUPAC6-cyclopropyl-3,4-dihydroazepin-2-imine
SMILES[H]/N=C1\CCC=C(C2CC2)C=N1
InChIInChI=1S/C9H12N2/c10-9-3-1-2-8(6-11-9)7-4-5-7/h2,6-7,10H,1,3-5H2/b10-9+
InChIKeyBMMNIASXDPSZCH-MDZDMXLPSA-N
MW148.21 g/mol
LogP2.16
Rot. Bonds1

About 6-cyclopropyl-3,4-dihydroazepin-2-imine

6-cyclopropyl-3,4-dihydroazepin-2-imine (PubChem CID 123190073) has the molecular formula C9H12N2 and a molecular weight of 148.21 g/mol. Its IUPAC name is 6-cyclopropyl-3,4-dihydroazepin-2-imine.

Molecular Properties

Compound Name6-cyclopropyl-3,4-dihydroazepin-2-imine
PubChem CID123190073
Molecular FormulaC9H12N2
Molecular Weight148.21 g/mol
Exact Mass148.10
IUPAC Name6-cyclopropyl-3,4-dihydroazepin-2-imine
SMILES[H]/N=C1\CCC=C(C2CC2)C=N1
InChIInChI=1S/C9H12N2/c10-9-3-1-2-8(6-11-9)7-4-5-7/h2,6-7,10H,1,3-5H2/b10-9+
InChIKeyBMMNIASXDPSZCH-MDZDMXLPSA-N
XLogP2.16
TPSA36.21 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 ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-3,4-dihydroazepin-2-imine?
The IUPAC name of 6-cyclopropyl-3,4-dihydroazepin-2-imine (CID 123190073) is 6-cyclopropyl-3,4-dihydroazepin-2-imine.
What is the SMILES notation for 6-cyclopropyl-3,4-dihydroazepin-2-imine?
The canonical SMILES for 6-cyclopropyl-3,4-dihydroazepin-2-imine is [H]/N=C1\CCC=C(C2CC2)C=N1.
What is the InChIKey of 6-cyclopropyl-3,4-dihydroazepin-2-imine?
The InChIKey is BMMNIASXDPSZCH-MDZDMXLPSA-N. The full InChI is InChI=1S/C9H12N2/c10-9-3-1-2-8(6-11-9)7-4-5-7/h2,6-7,10H,1,3-5H2/b10-9+.
What are the key properties of 6-cyclopropyl-3,4-dihydroazepin-2-imine?
6-cyclopropyl-3,4-dihydroazepin-2-imine has a molecular weight of 148.21 g/mol, XLogP of 2.16, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-3,4-dihydroazepin-2-imine is sourced from PubChem (CID 123190073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).