3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pentanenitrile

C12H23N3O — CID 66056198

IUPAC3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pentanenitrile
SMILESCCC(CC#N)N1CC(O)CC1CN(C)C
InChIInChI=1S/C12H23N3O/c1-4-10(5-6-13)15-9-12(16)7-11(15)8-14(2)3/h10-12,16H,4-5,7-9H2,1-3H3
InChIKeyDFPGUMUEIYCRDS-UHFFFAOYSA-N
MW225.34 g/mol
LogP0.68
Rot. Bonds5

About 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pentanenitrile

3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pentanenitrile (PubChem CID 66056198) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pentanenitrile.

Molecular Properties

Compound Name3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pentanenitrile
PubChem CID66056198
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pentanenitrile
SMILESCCC(CC#N)N1CC(O)CC1CN(C)C
InChIInChI=1S/C12H23N3O/c1-4-10(5-6-13)15-9-12(16)7-11(15)8-14(2)3/h10-12,16H,4-5,7-9H2,1-3H3
InChIKeyDFPGUMUEIYCRDS-UHFFFAOYSA-N
XLogP0.68
TPSA50.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pentanenitrile?
The IUPAC name of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pentanenitrile (CID 66056198) is 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pentanenitrile.
What is the SMILES notation for 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pentanenitrile?
The canonical SMILES for 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pentanenitrile is CCC(CC#N)N1CC(O)CC1CN(C)C.
What is the InChIKey of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pentanenitrile?
The InChIKey is DFPGUMUEIYCRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-4-10(5-6-13)15-9-12(16)7-11(15)8-14(2)3/h10-12,16H,4-5,7-9H2,1-3H3.
What are the key properties of 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pentanenitrile?
3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pentanenitrile has a molecular weight of 225.34 g/mol, XLogP of 0.68, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(dimethylamino)methyl]-4-hydroxypyrrolidin-1-yl]pentanenitrile is sourced from PubChem (CID 66056198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).