N-benzylcyclohex-2-ene-1-carboxamide

C14H17NO — CID 134888481

IUPACN-benzylcyclohex-2-ene-1-carboxamide
SMILESO=C(NCc1ccccc1)C1C=CCCC1
InChIInChI=1S/C14H17NO/c16-14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1,3-5,7-9,13H,2,6,10-11H2,(H,15,16)
InChIKeyCLZMNFHUVPCKSW-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.66
Rot. Bonds3

About N-benzylcyclohex-2-ene-1-carboxamide

N-benzylcyclohex-2-ene-1-carboxamide (PubChem CID 134888481) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is N-benzylcyclohex-2-ene-1-carboxamide.

Molecular Properties

Compound NameN-benzylcyclohex-2-ene-1-carboxamide
PubChem CID134888481
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC NameN-benzylcyclohex-2-ene-1-carboxamide
SMILESO=C(NCc1ccccc1)C1C=CCCC1
InChIInChI=1S/C14H17NO/c16-14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1,3-5,7-9,13H,2,6,10-11H2,(H,15,16)
InChIKeyCLZMNFHUVPCKSW-UHFFFAOYSA-N
XLogP2.66
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-benzylcyclohex-2-ene-1-carboxamide?
The IUPAC name of N-benzylcyclohex-2-ene-1-carboxamide (CID 134888481) is N-benzylcyclohex-2-ene-1-carboxamide.
What is the SMILES notation for N-benzylcyclohex-2-ene-1-carboxamide?
The canonical SMILES for N-benzylcyclohex-2-ene-1-carboxamide is O=C(NCc1ccccc1)C1C=CCCC1.
What is the InChIKey of N-benzylcyclohex-2-ene-1-carboxamide?
The InChIKey is CLZMNFHUVPCKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c16-14(13-9-5-2-6-10-13)15-11-12-7-3-1-4-8-12/h1,3-5,7-9,13H,2,6,10-11H2,(H,15,16).
What are the key properties of N-benzylcyclohex-2-ene-1-carboxamide?
N-benzylcyclohex-2-ene-1-carboxamide has a molecular weight of 215.30 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylcyclohex-2-ene-1-carboxamide is sourced from PubChem (CID 134888481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).