N-[2-[(Z)-but-2-en-2-yl]phenyl]-3-methylcyclopentan-1-imine

C16H21N — CID 59114636

IUPACN-[2-[(Z)-but-2-en-2-yl]phenyl]-3-methylcyclopentan-1-imine
SMILESC/C=C(/C)c1ccccc1/N=C1\CCC(C)C1
InChIInChI=1S/C16H21N/c1-4-13(3)15-7-5-6-8-16(15)17-14-10-9-12(2)11-14/h4-8,12H,9-11H2,1-3H3/b13-4-,17-14+
InChIKeyZPKLEAMZXHYFKX-BWRGGKDASA-N
MW227.35 g/mol
LogP5.00
Rot. Bonds2

About N-[2-[(Z)-but-2-en-2-yl]phenyl]-3-methylcyclopentan-1-imine

N-[2-[(Z)-but-2-en-2-yl]phenyl]-3-methylcyclopentan-1-imine (PubChem CID 59114636) has the molecular formula C16H21N and a molecular weight of 227.35 g/mol. Its IUPAC name is N-[2-[(Z)-but-2-en-2-yl]phenyl]-3-methylcyclopentan-1-imine.

Molecular Properties

Compound NameN-[2-[(Z)-but-2-en-2-yl]phenyl]-3-methylcyclopentan-1-imine
PubChem CID59114636
Molecular FormulaC16H21N
Molecular Weight227.35 g/mol
Exact Mass227.17
IUPAC NameN-[2-[(Z)-but-2-en-2-yl]phenyl]-3-methylcyclopentan-1-imine
SMILESC/C=C(/C)c1ccccc1/N=C1\CCC(C)C1
InChIInChI=1S/C16H21N/c1-4-13(3)15-7-5-6-8-16(15)17-14-10-9-12(2)11-14/h4-8,12H,9-11H2,1-3H3/b13-4-,17-14+
InChIKeyZPKLEAMZXHYFKX-BWRGGKDASA-N
XLogP5.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500227.35
LogP ≤ 55.00
H-Bond Donors ≤ 50
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 N-[2-[(Z)-but-2-en-2-yl]phenyl]-3-methylcyclopentan-1-imine?
The IUPAC name of N-[2-[(Z)-but-2-en-2-yl]phenyl]-3-methylcyclopentan-1-imine (CID 59114636) is N-[2-[(Z)-but-2-en-2-yl]phenyl]-3-methylcyclopentan-1-imine.
What is the SMILES notation for N-[2-[(Z)-but-2-en-2-yl]phenyl]-3-methylcyclopentan-1-imine?
The canonical SMILES for N-[2-[(Z)-but-2-en-2-yl]phenyl]-3-methylcyclopentan-1-imine is C/C=C(/C)c1ccccc1/N=C1\CCC(C)C1.
What is the InChIKey of N-[2-[(Z)-but-2-en-2-yl]phenyl]-3-methylcyclopentan-1-imine?
The InChIKey is ZPKLEAMZXHYFKX-BWRGGKDASA-N. The full InChI is InChI=1S/C16H21N/c1-4-13(3)15-7-5-6-8-16(15)17-14-10-9-12(2)11-14/h4-8,12H,9-11H2,1-3H3/b13-4-,17-14+.
What are the key properties of N-[2-[(Z)-but-2-en-2-yl]phenyl]-3-methylcyclopentan-1-imine?
N-[2-[(Z)-but-2-en-2-yl]phenyl]-3-methylcyclopentan-1-imine has a molecular weight of 227.35 g/mol, XLogP of 5.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(Z)-but-2-en-2-yl]phenyl]-3-methylcyclopentan-1-imine is sourced from PubChem (CID 59114636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).