2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide

C14H22N2O — CID 138702196

IUPAC2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESC=C/C=C(\C=C/C)C1(C(=O)N(C)C)CCCN1
InChIInChI=1S/C14H22N2O/c1-5-8-12(9-6-2)14(10-7-11-15-14)13(17)16(3)4/h5-6,8-9,15H,1,7,10-11H2,2-4H3/b9-6-,12-8+
InChIKeyCVALSFNMGFSLNI-QYPWSSHISA-N
MW234.34 g/mol
LogP1.89
Rot. Bonds4

About 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide

2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide (PubChem CID 138702196) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide
PubChem CID138702196
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide
SMILESC=C/C=C(\C=C/C)C1(C(=O)N(C)C)CCCN1
InChIInChI=1S/C14H22N2O/c1-5-8-12(9-6-2)14(10-7-11-15-14)13(17)16(3)4/h5-6,8-9,15H,1,7,10-11H2,2-4H3/b9-6-,12-8+
InChIKeyCVALSFNMGFSLNI-QYPWSSHISA-N
XLogP1.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,4S)-4-fluoro-N-[(4E)-4,5,7-trimethyl-3-propylocta-4,6-dienyl]pyrrolidine-2-carboxamide
CID 89770645
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CID 153350983
(2R)-N,N-dimethyl-2-prop-2-enylpyrrolidine-2-carboxamide
CID 154720748
(2-propylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 106975871
(2-ethylpyrrolidin-2-yl)-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
CID 114489942
N-[(Z)-1-fluoro-4-prop-2-enylhept-4-en-3-yl]-1-methylpyrrolidine-2-carboxamide
CID 143101764
(2S,4S)-4-amino-N-ethyl-1-[[(4S)-4-prop-1-en-2-ylcyclohexen-1-yl]methyl]pyrrolidine-2-carboxamide
CID 56714127
1-[(5-methylcyclohexa-1,3-dien-1-yl)methyl]-N-pentylpyrrolidine-2-carboxamide
CID 70297729
1,10-Diazaspiro[4.6]undec-7-en-11-one
CID 86063184
10-Methyl-1,10-diazaspiro[4.6]undec-7-en-11-one
CID 86063202
N-but-3-en-2-yl-3-ethylidene-4-methyl-2-pyrrolidin-1-ylhex-4-enamide
CID 123625863
N-tert-butyl-4-methyl-N-(2-methylidenebut-3-enyl)pyrrolidine-2-carboxamide
CID 123912491

Frequently Asked Questions

What is the IUPAC name of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
The IUPAC name of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide (CID 138702196) is 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide.
What is the SMILES notation for 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
The canonical SMILES for 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide is C=C/C=C(\C=C/C)C1(C(=O)N(C)C)CCCN1.
What is the InChIKey of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
The InChIKey is CVALSFNMGFSLNI-QYPWSSHISA-N. The full InChI is InChI=1S/C14H22N2O/c1-5-8-12(9-6-2)14(10-7-11-15-14)13(17)16(3)4/h5-6,8-9,15H,1,7,10-11H2,2-4H3/b9-6-,12-8+.
What are the key properties of 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide?
2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide has a molecular weight of 234.34 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-N,N-dimethylpyrrolidine-2-carboxamide is sourced from PubChem (CID 138702196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).