1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile

C15H24N2O2 — CID 114797597

IUPAC1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC(CCO)C2)CCCCCC1
InChIInChI=1S/C15H24N2O2/c16-12-15(7-3-1-2-4-8-15)14(19)17-9-5-13(11-17)6-10-18/h13,18H,1-11H2
InChIKeyWGKKRRAFUSKKDD-UHFFFAOYSA-N
MW264.37 g/mol
LogP2.08
Rot. Bonds3

About 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile

1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile (PubChem CID 114797597) has the molecular formula C15H24N2O2 and a molecular weight of 264.37 g/mol. Its IUPAC name is 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile
PubChem CID114797597
Molecular FormulaC15H24N2O2
Molecular Weight264.37 g/mol
Exact Mass264.18
IUPAC Name1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC(CCO)C2)CCCCCC1
InChIInChI=1S/C15H24N2O2/c16-12-15(7-3-1-2-4-8-15)14(19)17-9-5-13(11-17)6-10-18/h13,18H,1-11H2
InChIKeyWGKKRRAFUSKKDD-UHFFFAOYSA-N
XLogP2.08
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 114797594
1-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrole-2-carbonyl)cycloheptane-1-carbonitrile
CID 115559859
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)cyclopentane-1-carbonitrile
CID 60718273
1-(9-methyl-3,9-diazabicyclo[4.2.1]nonane-3-carbonyl)cyclohexane-1-carbonitrile
CID 79079811
1-(piperidine-1-carbonyl)cyclopentane-1-carbonitrile
CID 51073773
1-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carbonyl)cyclobutane-1-carbonitrile
CID 78994544
1-(3,4-dihydroxypyrrolidine-1-carbonyl)cyclohexane-1-carbonitrile
CID 106669285
propan-2-yl 2-[1-(1-cyanocyclohexanecarbonyl)piperidin-3-yl]acetate
CID 122143023
1-[3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile
CID 128970710
methyl 1-(1-cyanocyclopentanecarbonyl)piperidine-4-carboxylate
CID 60718203
methyl 1-(1-cyanocycloheptanecarbonyl)piperidine-3-carboxylate
CID 115534455
1-[3-(methoxymethyl)piperidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 106586857

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile?
The IUPAC name of 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile (CID 114797597) is 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile.
What is the SMILES notation for 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile?
The canonical SMILES for 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile is N#CC1(C(=O)N2CCC(CCO)C2)CCCCCC1.
What is the InChIKey of 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile?
The InChIKey is WGKKRRAFUSKKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O2/c16-12-15(7-3-1-2-4-8-15)14(19)17-9-5-13(11-17)6-10-18/h13,18H,1-11H2.
What are the key properties of 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile?
1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile has a molecular weight of 264.37 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile is sourced from PubChem (CID 114797597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).