2-prop-2-enyl-N-propyl-N-pyrrolidin-3-ylpent-4-enamide;hydrochloride

C15H27ClN2O — CID 119530614

IUPAC2-prop-2-enyl-N-propyl-N-pyrrolidin-3-ylpent-4-enamide;hydrochloride
SMILESC=CCC(CC=C)C(=O)N(CCC)C1CCNC1.Cl
InChIInChI=1S/C15H26N2O.ClH/c1-4-7-13(8-5-2)15(18)17(11-6-3)14-9-10-16-12-14;/h4-5,13-14,16H,1-2,6-12H2,3H3;1H
InChIKeyFLGASYJSZGKISS-UHFFFAOYSA-N
MW286.85 g/mol
LogP2.78
Rot. Bonds8

About 2-prop-2-enyl-N-propyl-N-pyrrolidin-3-ylpent-4-enamide;hydrochloride

2-prop-2-enyl-N-propyl-N-pyrrolidin-3-ylpent-4-enamide;hydrochloride (PubChem CID 119530614) has the molecular formula C15H27ClN2O and a molecular weight of 286.85 g/mol. Its IUPAC name is 2-prop-2-enyl-N-propyl-N-pyrrolidin-3-ylpent-4-enamide;hydrochloride.

Molecular Properties

Compound Name2-prop-2-enyl-N-propyl-N-pyrrolidin-3-ylpent-4-enamide;hydrochloride
PubChem CID119530614
Molecular FormulaC15H27ClN2O
Molecular Weight286.85 g/mol
Exact Mass286.18
IUPAC Name2-prop-2-enyl-N-propyl-N-pyrrolidin-3-ylpent-4-enamide;hydrochloride
SMILESC=CCC(CC=C)C(=O)N(CCC)C1CCNC1.Cl
InChIInChI=1S/C15H26N2O.ClH/c1-4-7-13(8-5-2)15(18)17(11-6-3)14-9-10-16-12-14;/h4-5,13-14,16H,1-2,6-12H2,3H3;1H
InChIKeyFLGASYJSZGKISS-UHFFFAOYSA-N
XLogP2.78
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.85
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530953
N,2-diethyl-N-pyrrolidin-3-ylbutanamide
CID 60805502
2-butylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530954
3,4-dimethyl-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119533162
2-(2-ethoxyethoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119530470
5-methoxy-N-propyl-N-pyrrolidin-3-ylpentanamide
CID 119531804
2-phenyl-N-propyl-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 120607586
3-propan-2-yloxy-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 119530419
3-ethyl-4-methyl-N-propyl-N-pyrrolidin-3-ylpentanamide;hydrochloride
CID 119530049
2-benzylsulfanyl-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119530341
N'-propyl-N'-pyrrolidin-3-ylpropanediamide
CID 119533204
3-chloro-N-propyl-N-pyrrolidin-3-ylpropanamide
CID 82177257

Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enyl-N-propyl-N-pyrrolidin-3-ylpent-4-enamide;hydrochloride?
The IUPAC name of 2-prop-2-enyl-N-propyl-N-pyrrolidin-3-ylpent-4-enamide;hydrochloride (CID 119530614) is 2-prop-2-enyl-N-propyl-N-pyrrolidin-3-ylpent-4-enamide;hydrochloride.
What is the SMILES notation for 2-prop-2-enyl-N-propyl-N-pyrrolidin-3-ylpent-4-enamide;hydrochloride?
The canonical SMILES for 2-prop-2-enyl-N-propyl-N-pyrrolidin-3-ylpent-4-enamide;hydrochloride is C=CCC(CC=C)C(=O)N(CCC)C1CCNC1.Cl.
What is the InChIKey of 2-prop-2-enyl-N-propyl-N-pyrrolidin-3-ylpent-4-enamide;hydrochloride?
The InChIKey is FLGASYJSZGKISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O.ClH/c1-4-7-13(8-5-2)15(18)17(11-6-3)14-9-10-16-12-14;/h4-5,13-14,16H,1-2,6-12H2,3H3;1H.
What are the key properties of 2-prop-2-enyl-N-propyl-N-pyrrolidin-3-ylpent-4-enamide;hydrochloride?
2-prop-2-enyl-N-propyl-N-pyrrolidin-3-ylpent-4-enamide;hydrochloride has a molecular weight of 286.85 g/mol, XLogP of 2.78, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enyl-N-propyl-N-pyrrolidin-3-ylpent-4-enamide;hydrochloride is sourced from PubChem (CID 119530614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).