2-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile

C16H28N2O2 — CID 62480631

IUPAC2-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile
SMILESCCCC(C#N)(CCC)C(=O)N1CCCC1CCCO
InChIInChI=1S/C16H28N2O2/c1-3-9-16(13-17,10-4-2)15(20)18-11-5-7-14(18)8-6-12-19/h14,19H,3-12H2,1-2H3
InChIKeyMXSOREXCPYBOLC-UHFFFAOYSA-N
MW280.41 g/mol
LogP2.86
Rot. Bonds8

About 2-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile

2-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile (PubChem CID 62480631) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 2-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile.

Molecular Properties

Compound Name2-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile
PubChem CID62480631
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name2-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile
SMILESCCCC(C#N)(CCC)C(=O)N1CCCC1CCCO
InChIInChI=1S/C16H28N2O2/c1-3-9-16(13-17,10-4-2)15(20)18-11-5-7-14(18)8-6-12-19/h14,19H,3-12H2,1-2H3
InChIKeyMXSOREXCPYBOLC-UHFFFAOYSA-N
XLogP2.86
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-amino-2-cyclopropyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62478863
1-[(2S)-2-(3-hydroxypropyl)pyrrolidin-1-yl]prop-2-en-1-one
CID 167912648
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-propoxypropan-1-one
CID 62717355
2-amino-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]hexan-1-one
CID 62480098
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 62469314
3-cyclopentyl-1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]propan-1-one
CID 62469307
1-(2-butylpiperidin-1-yl)-2,2,2-trifluoroethanone
CID 162620815
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-methoxypropan-1-one
CID 62589501
2-cyano-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-2-propylpentanamide
CID 79314341
1-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3-piperidin-4-ylpropan-1-one
CID 62479215
(3,5-dibromophenyl)-[2-(3-hydroxypropyl)pyrrolidin-1-yl]methanone
CID 103932935
5-[2-(3-hydroxypropyl)pyrrolidin-1-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 62933577

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile?
The IUPAC name of 2-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile (CID 62480631) is 2-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile.
What is the SMILES notation for 2-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile?
The canonical SMILES for 2-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile is CCCC(C#N)(CCC)C(=O)N1CCCC1CCCO.
What is the InChIKey of 2-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile?
The InChIKey is MXSOREXCPYBOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-3-9-16(13-17,10-4-2)15(20)18-11-5-7-14(18)8-6-12-19/h14,19H,3-12H2,1-2H3.
What are the key properties of 2-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile?
2-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile has a molecular weight of 280.41 g/mol, XLogP of 2.86, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-hydroxypropyl)pyrrolidine-1-carbonyl]-2-propylpentanenitrile is sourced from PubChem (CID 62480631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).