N-cyclopentyl-4-methyl-6-methylidenecyclohexa-2,4-diene-1-carboxamide

C14H19NO — CID 123250061

IUPACN-cyclopentyl-4-methyl-6-methylidenecyclohexa-2,4-diene-1-carboxamide
SMILESC=C1C=C(C)C=CC1C(=O)NC1CCCC1
InChIInChI=1S/C14H19NO/c1-10-7-8-13(11(2)9-10)14(16)15-12-5-3-4-6-12/h7-9,12-13H,2-6H2,1H3,(H,15,16)
InChIKeyJTQCMCVYVRYLSQ-UHFFFAOYSA-N
MW217.31 g/mol
LogP2.73
Rot. Bonds2

About N-cyclopentyl-4-methyl-6-methylidenecyclohexa-2,4-diene-1-carboxamide

N-cyclopentyl-4-methyl-6-methylidenecyclohexa-2,4-diene-1-carboxamide (PubChem CID 123250061) has the molecular formula C14H19NO and a molecular weight of 217.31 g/mol. Its IUPAC name is N-cyclopentyl-4-methyl-6-methylidenecyclohexa-2,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-4-methyl-6-methylidenecyclohexa-2,4-diene-1-carboxamide
PubChem CID123250061
Molecular FormulaC14H19NO
Molecular Weight217.31 g/mol
Exact Mass217.15
IUPAC NameN-cyclopentyl-4-methyl-6-methylidenecyclohexa-2,4-diene-1-carboxamide
SMILESC=C1C=C(C)C=CC1C(=O)NC1CCCC1
InChIInChI=1S/C14H19NO/c1-10-7-8-13(11(2)9-10)14(16)15-12-5-3-4-6-12/h7-9,12-13H,2-6H2,1H3,(H,15,16)
InChIKeyJTQCMCVYVRYLSQ-UHFFFAOYSA-N
XLogP2.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.31
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-4-methyl-6-methylidenecyclohexa-2,4-diene-1-carboxamide?
The IUPAC name of N-cyclopentyl-4-methyl-6-methylidenecyclohexa-2,4-diene-1-carboxamide (CID 123250061) is N-cyclopentyl-4-methyl-6-methylidenecyclohexa-2,4-diene-1-carboxamide.
What is the SMILES notation for N-cyclopentyl-4-methyl-6-methylidenecyclohexa-2,4-diene-1-carboxamide?
The canonical SMILES for N-cyclopentyl-4-methyl-6-methylidenecyclohexa-2,4-diene-1-carboxamide is C=C1C=C(C)C=CC1C(=O)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-4-methyl-6-methylidenecyclohexa-2,4-diene-1-carboxamide?
The InChIKey is JTQCMCVYVRYLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19NO/c1-10-7-8-13(11(2)9-10)14(16)15-12-5-3-4-6-12/h7-9,12-13H,2-6H2,1H3,(H,15,16).
What are the key properties of N-cyclopentyl-4-methyl-6-methylidenecyclohexa-2,4-diene-1-carboxamide?
N-cyclopentyl-4-methyl-6-methylidenecyclohexa-2,4-diene-1-carboxamide has a molecular weight of 217.31 g/mol, XLogP of 2.73, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-4-methyl-6-methylidenecyclohexa-2,4-diene-1-carboxamide is sourced from PubChem (CID 123250061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).