N,3,3-trimethyl-5-oxo-N-pent-4-enylcyclopentene-1-carboxamide

C14H21NO2 — CID 101055440

IUPACN,3,3-trimethyl-5-oxo-N-pent-4-enylcyclopentene-1-carboxamide
SMILESC=CCCCN(C)C(=O)C1=CC(C)(C)CC1=O
InChIInChI=1S/C14H21NO2/c1-5-6-7-8-15(4)13(17)11-9-14(2,3)10-12(11)16/h5,9H,1,6-8,10H2,2-4H3
InChIKeyMXTRUQDLQXZMKC-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.34
Rot. Bonds5

About N,3,3-trimethyl-5-oxo-N-pent-4-enylcyclopentene-1-carboxamide

N,3,3-trimethyl-5-oxo-N-pent-4-enylcyclopentene-1-carboxamide (PubChem CID 101055440) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is N,3,3-trimethyl-5-oxo-N-pent-4-enylcyclopentene-1-carboxamide.

Molecular Properties

Compound NameN,3,3-trimethyl-5-oxo-N-pent-4-enylcyclopentene-1-carboxamide
PubChem CID101055440
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC NameN,3,3-trimethyl-5-oxo-N-pent-4-enylcyclopentene-1-carboxamide
SMILESC=CCCCN(C)C(=O)C1=CC(C)(C)CC1=O
InChIInChI=1S/C14H21NO2/c1-5-6-7-8-15(4)13(17)11-9-14(2,3)10-12(11)16/h5,9H,1,6-8,10H2,2-4H3
InChIKeyMXTRUQDLQXZMKC-UHFFFAOYSA-N
XLogP2.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze N,3,3-trimethyl-5-oxo-N-pent-4-enylcyclopentene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,3,3-trimethyl-5-oxo-N-pent-4-enylcyclopentene-1-carboxamide?
The IUPAC name of N,3,3-trimethyl-5-oxo-N-pent-4-enylcyclopentene-1-carboxamide (CID 101055440) is N,3,3-trimethyl-5-oxo-N-pent-4-enylcyclopentene-1-carboxamide.
What is the SMILES notation for N,3,3-trimethyl-5-oxo-N-pent-4-enylcyclopentene-1-carboxamide?
The canonical SMILES for N,3,3-trimethyl-5-oxo-N-pent-4-enylcyclopentene-1-carboxamide is C=CCCCN(C)C(=O)C1=CC(C)(C)CC1=O.
What is the InChIKey of N,3,3-trimethyl-5-oxo-N-pent-4-enylcyclopentene-1-carboxamide?
The InChIKey is MXTRUQDLQXZMKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c1-5-6-7-8-15(4)13(17)11-9-14(2,3)10-12(11)16/h5,9H,1,6-8,10H2,2-4H3.
What are the key properties of N,3,3-trimethyl-5-oxo-N-pent-4-enylcyclopentene-1-carboxamide?
N,3,3-trimethyl-5-oxo-N-pent-4-enylcyclopentene-1-carboxamide has a molecular weight of 235.33 g/mol, XLogP of 2.34, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,3,3-trimethyl-5-oxo-N-pent-4-enylcyclopentene-1-carboxamide is sourced from PubChem (CID 101055440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).