4-(4-ethylcyclohepta-1,3,6-trien-1-yl)pyrrolidine-3-carboxamide

C14H20N2O — CID 91369811

IUPAC4-(4-ethylcyclohepta-1,3,6-trien-1-yl)pyrrolidine-3-carboxamide
SMILESCCC1=CC=C(C2CNCC2C(N)=O)C=CC1
InChIInChI=1S/C14H20N2O/c1-2-10-4-3-5-11(7-6-10)12-8-16-9-13(12)14(15)17/h3,5-7,12-13,16H,2,4,8-9H2,1H3,(H2,15,17)
InChIKeyJNBLACNNTBTTGF-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.53
Rot. Bonds3

About 4-(4-ethylcyclohepta-1,3,6-trien-1-yl)pyrrolidine-3-carboxamide

4-(4-ethylcyclohepta-1,3,6-trien-1-yl)pyrrolidine-3-carboxamide (PubChem CID 91369811) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 4-(4-ethylcyclohepta-1,3,6-trien-1-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4-(4-ethylcyclohepta-1,3,6-trien-1-yl)pyrrolidine-3-carboxamide
PubChem CID91369811
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name4-(4-ethylcyclohepta-1,3,6-trien-1-yl)pyrrolidine-3-carboxamide
SMILESCCC1=CC=C(C2CNCC2C(N)=O)C=CC1
InChIInChI=1S/C14H20N2O/c1-2-10-4-3-5-11(7-6-10)12-8-16-9-13(12)14(15)17/h3,5-7,12-13,16H,2,4,8-9H2,1H3,(H2,15,17)
InChIKeyJNBLACNNTBTTGF-UHFFFAOYSA-N
XLogP1.53
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(3S,4S)-3-(1-aminoethenyl)-4-[(3E)-5-fluoro-4,5-dimethylhexa-1,3-dien-2-yl]pyrrolidin-2-one
CID 154673392
(3S,4S)-3-(1-aminoethenyl)-4-[(3Z)-5-fluoro-4,5-dimethylhexa-1,3-dien-3-yl]pyrrolidin-2-one
CID 162729095
(3S,4S)-3-(1-aminoethenyl)-4-[(E)-5-fluoro-5-methyl-4-methylidenehex-2-en-2-yl]pyrrolidin-2-one
CID 162729097
(3S,4S)-4-[(3Z)-5-fluoro-4,5-dimethylhexa-1,3-dien-3-yl]-2-oxopyrrolidine-3-carboxamide
CID 162729119
(3S,4S)-4-[(3E)-5-fluoro-4,5-dimethylhexa-1,3-dien-2-yl]-3-prop-1-en-2-ylpyrrolidin-2-one
CID 166973422
(3S,4S)-4-[(3E)-5-fluoro-4,5-dimethylhexa-1,3-dien-2-yl]-2-oxopyrrolidine-3-carboxamide
CID 154673402
2,3,3a,4-tetrahydro-1H-indole-3-carboxamide
CID 70094134
(3S,4S)-N-[(1S)-1-cyclohexa-1,3-dien-1-ylethyl]-4-ethylpyrrolidine-3-carboxamide
CID 70890506
(3-Carbamoyl-4-cyclohexa-1,5-dien-1-ylpyrrolidin-1-yl)methyl-methyl-methylidenephosphanium
CID 90893155
4-cyclohexa-1,5-dien-1-yl-N-methylpyrrolidine-3-carboxamide
CID 90989458
1-[4-(5,5-Dimethylcyclohepta-1,3,6-trien-1-yl)pyrrolidin-3-yl]ethanone
CID 91132978
4-Cyclohexa-1,5-dien-1-yl-1-(methylidenephosphanylmethyl)pyrrolidine-3-carboxamide
CID 91299947

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylcyclohepta-1,3,6-trien-1-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 4-(4-ethylcyclohepta-1,3,6-trien-1-yl)pyrrolidine-3-carboxamide (CID 91369811) is 4-(4-ethylcyclohepta-1,3,6-trien-1-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 4-(4-ethylcyclohepta-1,3,6-trien-1-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 4-(4-ethylcyclohepta-1,3,6-trien-1-yl)pyrrolidine-3-carboxamide is CCC1=CC=C(C2CNCC2C(N)=O)C=CC1.
What is the InChIKey of 4-(4-ethylcyclohepta-1,3,6-trien-1-yl)pyrrolidine-3-carboxamide?
The InChIKey is JNBLACNNTBTTGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-2-10-4-3-5-11(7-6-10)12-8-16-9-13(12)14(15)17/h3,5-7,12-13,16H,2,4,8-9H2,1H3,(H2,15,17).
What are the key properties of 4-(4-ethylcyclohepta-1,3,6-trien-1-yl)pyrrolidine-3-carboxamide?
4-(4-ethylcyclohepta-1,3,6-trien-1-yl)pyrrolidine-3-carboxamide has a molecular weight of 232.33 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylcyclohepta-1,3,6-trien-1-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 91369811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).