1-[3-(cyclopentylmethyl)-4-methylpent-1-en-2-yl]-2-prop-1-en-2-ylpyrrolidine

C19H33N — CID 143643676

IUPAC1-[3-(cyclopentylmethyl)-4-methylpent-1-en-2-yl]-2-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)C1CCCN1C(=C)C(CC1CCCC1)C(C)C
InChIInChI=1S/C19H33N/c1-14(2)18(13-17-9-6-7-10-17)16(5)20-12-8-11-19(20)15(3)4/h14,17-19H,3,5-13H2,1-2,4H3
InChIKeyZORXTDPBZCOBML-UHFFFAOYSA-N
MW275.48 g/mol
LogP5.39
Rot. Bonds6

About 1-[3-(cyclopentylmethyl)-4-methylpent-1-en-2-yl]-2-prop-1-en-2-ylpyrrolidine

1-[3-(cyclopentylmethyl)-4-methylpent-1-en-2-yl]-2-prop-1-en-2-ylpyrrolidine (PubChem CID 143643676) has the molecular formula C19H33N and a molecular weight of 275.48 g/mol. Its IUPAC name is 1-[3-(cyclopentylmethyl)-4-methylpent-1-en-2-yl]-2-prop-1-en-2-ylpyrrolidine.

Molecular Properties

Compound Name1-[3-(cyclopentylmethyl)-4-methylpent-1-en-2-yl]-2-prop-1-en-2-ylpyrrolidine
PubChem CID143643676
Molecular FormulaC19H33N
Molecular Weight275.48 g/mol
Exact Mass275.26
IUPAC Name1-[3-(cyclopentylmethyl)-4-methylpent-1-en-2-yl]-2-prop-1-en-2-ylpyrrolidine
SMILESC=C(C)C1CCCN1C(=C)C(CC1CCCC1)C(C)C
InChIInChI=1S/C19H33N/c1-14(2)18(13-17-9-6-7-10-17)16(5)20-12-8-11-19(20)15(3)4/h14,17-19H,3,5-13H2,1-2,4H3
InChIKeyZORXTDPBZCOBML-UHFFFAOYSA-N
XLogP5.39
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.48
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-propan-2-yl-2-prop-1-en-2-ylpyrrolidine
CID 67564463
1-[(2S)-2-(1-hydroxyethenyl)pyrrolidin-1-yl]-2-(hydroxymethyl)-3-methylbutan-1-one
CID 90243965
(2S)-2-(cyclohexylmethyl)-3-methylbutanoic acid
CID 22877220
(2R)-1-methyl-2-prop-1-en-2-ylpyrrolidine
CID 89224311
1-ethenyl-2-prop-1-en-2-ylpyrrolidine
CID 155697098
(2S)-1-[(3S)-3-amino-4,4-dimethylpent-1-en-2-yl]-N-(1-cyclopropyl-3,4-dioxopentan-2-yl)pyrrolidine-2-carboxamide
CID 143101846
1-(3-aminopiperidin-1-yl)-2-(cyclohexylmethyl)-3-methylbutan-1-one;hydrochloride
CID 119379995
1-[2-(aminomethyl)-3-methylbutanoyl]pyrrolidine-2-carboxylic acid
CID 65227126
1-cyclopentylpropan-2-ylcyclopentane
CID 57131610
(2S)-1-[(4E)-4-[(R)-methylsulfinyl]-3-propan-2-ylidenehexa-1,4-dien-2-yl]-2-prop-1-en-2-ylpyrrolidine
CID 144557829
1-cyclohexyl-4-methylpent-4-en-2-ol
CID 115816975
methyl (2S)-1-(2-amino-3-cyclohexylpropanoyl)pyrrolidine-2-carboxylate;hydrochloride
CID 174947725

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopentylmethyl)-4-methylpent-1-en-2-yl]-2-prop-1-en-2-ylpyrrolidine?
The IUPAC name of 1-[3-(cyclopentylmethyl)-4-methylpent-1-en-2-yl]-2-prop-1-en-2-ylpyrrolidine (CID 143643676) is 1-[3-(cyclopentylmethyl)-4-methylpent-1-en-2-yl]-2-prop-1-en-2-ylpyrrolidine.
What is the SMILES notation for 1-[3-(cyclopentylmethyl)-4-methylpent-1-en-2-yl]-2-prop-1-en-2-ylpyrrolidine?
The canonical SMILES for 1-[3-(cyclopentylmethyl)-4-methylpent-1-en-2-yl]-2-prop-1-en-2-ylpyrrolidine is C=C(C)C1CCCN1C(=C)C(CC1CCCC1)C(C)C.
What is the InChIKey of 1-[3-(cyclopentylmethyl)-4-methylpent-1-en-2-yl]-2-prop-1-en-2-ylpyrrolidine?
The InChIKey is ZORXTDPBZCOBML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N/c1-14(2)18(13-17-9-6-7-10-17)16(5)20-12-8-11-19(20)15(3)4/h14,17-19H,3,5-13H2,1-2,4H3.
What are the key properties of 1-[3-(cyclopentylmethyl)-4-methylpent-1-en-2-yl]-2-prop-1-en-2-ylpyrrolidine?
1-[3-(cyclopentylmethyl)-4-methylpent-1-en-2-yl]-2-prop-1-en-2-ylpyrrolidine has a molecular weight of 275.48 g/mol, XLogP of 5.39, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopentylmethyl)-4-methylpent-1-en-2-yl]-2-prop-1-en-2-ylpyrrolidine is sourced from PubChem (CID 143643676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).