1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile

C14H22N2O2 — CID 114011856

IUPAC1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC[C@@H]2CO)CCCCCC1
InChIInChI=1S/C14H22N2O2/c15-11-14(7-3-1-2-4-8-14)13(18)16-9-5-6-12(16)10-17/h12,17H,1-10H2/t12-/m1/s1
InChIKeyIXXODYHNLBJWGO-GFCCVEGCSA-N
MW250.34 g/mol
LogP1.83
Rot. Bonds2

About 1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile

1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile (PubChem CID 114011856) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile.

Molecular Properties

Compound Name1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile
PubChem CID114011856
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile
SMILESN#CC1(C(=O)N2CCC[C@@H]2CO)CCCCCC1
InChIInChI=1S/C14H22N2O2/c15-11-14(7-3-1-2-4-8-14)13(18)16-9-5-6-12(16)10-17/h12,17H,1-10H2/t12-/m1/s1
InChIKeyIXXODYHNLBJWGO-GFCCVEGCSA-N
XLogP1.83
TPSA64.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-propylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile
CID 83056317
1-[2-(2-hydroxyethyl)piperidine-1-carbonyl]cyclobutane-1-carbonitrile
CID 80598710
1-[2-(pyrazol-1-ylmethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56779301
1-[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile
CID 111472404
1-(2-methylpiperidine-1-carbonyl)cyclohexane-1-carbonitrile
CID 61459107
1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile
CID 102780745
1-[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidine-1-carbonyl]cyclohexane-1-carbonitrile
CID 56779437
1-[2-(2-hydroxy-2-phenylethyl)pyrrolidine-1-carbonyl]cyclopentane-1-carbonitrile
CID 111472289
1-(2,3-dimethylpiperidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 79005828
1-[2-(hydroxymethyl)-3-methylpyrrolidine-1-carbonyl]cyclobutane-1-carbonitrile
CID 102780761
1-(2-propan-2-ylpyrrolidine-1-carbonyl)cyclobutane-1-carbonitrile
CID 80592692
3-[2-(hydroxymethyl)pyrrolidin-1-yl]-3-oxopropanenitrile
CID 61409516

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile?
The IUPAC name of 1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile (CID 114011856) is 1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile.
What is the SMILES notation for 1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile?
The canonical SMILES for 1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile is N#CC1(C(=O)N2CCC[C@@H]2CO)CCCCCC1.
What is the InChIKey of 1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile?
The InChIKey is IXXODYHNLBJWGO-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H22N2O2/c15-11-14(7-3-1-2-4-8-14)13(18)16-9-5-6-12(16)10-17/h12,17H,1-10H2/t12-/m1/s1.
What are the key properties of 1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile?
1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile has a molecular weight of 250.34 g/mol, XLogP of 1.83, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]cycloheptane-1-carbonitrile is sourced from PubChem (CID 114011856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).