3-cyclopropyl-1-(3-methylpyrrolidin-3-yl)hex-5-en-2-one

C14H23NO — CID 153378292

IUPAC3-cyclopropyl-1-(3-methylpyrrolidin-3-yl)hex-5-en-2-one
SMILESC=CCC(C(=O)CC1(C)CCNC1)C1CC1
InChIInChI=1S/C14H23NO/c1-3-4-12(11-5-6-11)13(16)9-14(2)7-8-15-10-14/h3,11-12,15H,1,4-10H2,2H3
InChIKeyNKSUFQFWPBTELZ-UHFFFAOYSA-N
MW221.34 g/mol
LogP2.55
Rot. Bonds6

About 3-cyclopropyl-1-(3-methylpyrrolidin-3-yl)hex-5-en-2-one

3-cyclopropyl-1-(3-methylpyrrolidin-3-yl)hex-5-en-2-one (PubChem CID 153378292) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 3-cyclopropyl-1-(3-methylpyrrolidin-3-yl)hex-5-en-2-one.

Molecular Properties

Compound Name3-cyclopropyl-1-(3-methylpyrrolidin-3-yl)hex-5-en-2-one
PubChem CID153378292
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name3-cyclopropyl-1-(3-methylpyrrolidin-3-yl)hex-5-en-2-one
SMILESC=CCC(C(=O)CC1(C)CCNC1)C1CC1
InChIInChI=1S/C14H23NO/c1-3-4-12(11-5-6-11)13(16)9-14(2)7-8-15-10-14/h3,11-12,15H,1,4-10H2,2H3
InChIKeyNKSUFQFWPBTELZ-UHFFFAOYSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 52.55
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

1-(Pyrrolidin-3-yl)pent-4-en-2-one
CID 116583305
cyclobutyl-[(3R)-3-methyl-3-prop-2-enylpyrrolidin-2-yl]methanone
CID 139497897
1-[(3R)-pyrrolidin-3-yl]hex-5-en-1-one
CID 141320383
1-[(3S)-pyrrolidin-3-yl]pent-4-en-2-one
CID 146425669
7-Prop-2-enyl-2-azaspiro[4.4]nonan-8-one
CID 153378438
(2R,4S)-4-ethenyl-4,6,7-trimethyl-2-[(2R)-pyrrolidin-2-yl]octan-3-one
CID 155207170
1-(4,4-Dimethylpyrrolidin-3-yl)but-3-en-2-one
CID 169855578
1-(3-Propan-2-ylpyrrolidin-3-yl)but-3-en-1-one
CID 106982083
1-(3-Propan-2-ylpyrrolidin-3-yl)pent-4-en-1-one
CID 106982177
3-Methylidene-1-(3-propan-2-ylpyrrolidin-3-yl)pentan-1-one
CID 106982180
4-Methyl-1-(3-propan-2-ylpyrrolidin-3-yl)pent-4-en-1-one
CID 106982284
1-(3-Propan-2-ylpyrrolidin-3-yl)hex-5-en-1-one
CID 106982312

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-1-(3-methylpyrrolidin-3-yl)hex-5-en-2-one?
The IUPAC name of 3-cyclopropyl-1-(3-methylpyrrolidin-3-yl)hex-5-en-2-one (CID 153378292) is 3-cyclopropyl-1-(3-methylpyrrolidin-3-yl)hex-5-en-2-one.
What is the SMILES notation for 3-cyclopropyl-1-(3-methylpyrrolidin-3-yl)hex-5-en-2-one?
The canonical SMILES for 3-cyclopropyl-1-(3-methylpyrrolidin-3-yl)hex-5-en-2-one is C=CCC(C(=O)CC1(C)CCNC1)C1CC1.
What is the InChIKey of 3-cyclopropyl-1-(3-methylpyrrolidin-3-yl)hex-5-en-2-one?
The InChIKey is NKSUFQFWPBTELZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-3-4-12(11-5-6-11)13(16)9-14(2)7-8-15-10-14/h3,11-12,15H,1,4-10H2,2H3.
What are the key properties of 3-cyclopropyl-1-(3-methylpyrrolidin-3-yl)hex-5-en-2-one?
3-cyclopropyl-1-(3-methylpyrrolidin-3-yl)hex-5-en-2-one has a molecular weight of 221.34 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-1-(3-methylpyrrolidin-3-yl)hex-5-en-2-one is sourced from PubChem (CID 153378292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).