1-(2-propylpyrrolidin-2-yl)hex-5-en-1-one

C13H23NO — CID 106976848

IUPAC1-(2-propylpyrrolidin-2-yl)hex-5-en-1-one
SMILESC=CCCCC(=O)C1(CCC)CCCN1
InChIInChI=1S/C13H23NO/c1-3-5-6-8-12(15)13(9-4-2)10-7-11-14-13/h3,14H,1,4-11H2,2H3
InChIKeyKPAWYEOBKPFWHB-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.83
Rot. Bonds7

About 1-(2-propylpyrrolidin-2-yl)hex-5-en-1-one

1-(2-propylpyrrolidin-2-yl)hex-5-en-1-one (PubChem CID 106976848) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1-(2-propylpyrrolidin-2-yl)hex-5-en-1-one.

Molecular Properties

Compound Name1-(2-propylpyrrolidin-2-yl)hex-5-en-1-one
PubChem CID106976848
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1-(2-propylpyrrolidin-2-yl)hex-5-en-1-one
SMILESC=CCCCC(=O)C1(CCC)CCCN1
InChIInChI=1S/C13H23NO/c1-3-5-6-8-12(15)13(9-4-2)10-7-11-14-13/h3,14H,1,4-11H2,2H3
InChIKeyKPAWYEOBKPFWHB-UHFFFAOYSA-N
XLogP2.83
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(2-propylpyrrolidin-2-yl)octan-1-one
CID 106976688
5-methyl-1-(2-propylpyrrolidin-2-yl)hexan-1-one
CID 106976672
2-pent-4-enylpyrrolidine-2-carboxylic acid
CID 115563174
1-(2-propylpyrrolidin-2-yl)pent-4-yn-1-one
CID 106976666
1-(2-propylpyrrolidin-2-yl)-3-propylsulfonylpropan-1-one
CID 106976841
1-(2-methylpyrrolidin-2-yl)oct-7-en-1-one
CID 107010897
N-tert-butyl-N-prop-2-enyl-2-propylpyrrolidine-2-carboxamide
CID 106975650
(2S)-2-propylpiperidine-2-carboxylic acid
CID 101384273
cyclopentyl-(2-propylpyrrolidin-2-yl)methanone
CID 106976587
1-(2-ethylpyrrolidin-2-yl)prop-2-en-1-one
CID 116608144
1-(3-ethylpyrrolidin-3-yl)hex-5-en-1-one
CID 116570351
1-(1-hydroxycycloheptyl)hex-5-en-1-one
CID 103450126

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylpyrrolidin-2-yl)hex-5-en-1-one?
The IUPAC name of 1-(2-propylpyrrolidin-2-yl)hex-5-en-1-one (CID 106976848) is 1-(2-propylpyrrolidin-2-yl)hex-5-en-1-one.
What is the SMILES notation for 1-(2-propylpyrrolidin-2-yl)hex-5-en-1-one?
The canonical SMILES for 1-(2-propylpyrrolidin-2-yl)hex-5-en-1-one is C=CCCCC(=O)C1(CCC)CCCN1.
What is the InChIKey of 1-(2-propylpyrrolidin-2-yl)hex-5-en-1-one?
The InChIKey is KPAWYEOBKPFWHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-5-6-8-12(15)13(9-4-2)10-7-11-14-13/h3,14H,1,4-11H2,2H3.
What are the key properties of 1-(2-propylpyrrolidin-2-yl)hex-5-en-1-one?
1-(2-propylpyrrolidin-2-yl)hex-5-en-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylpyrrolidin-2-yl)hex-5-en-1-one is sourced from PubChem (CID 106976848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).