1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile

C12H19N3O — CID 81464602

IUPAC1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile
SMILESCC1CN(C(=O)C2(C#N)CC2)CC1N(C)C
InChIInChI=1S/C12H19N3O/c1-9-6-15(7-10(9)14(2)3)11(16)12(8-13)4-5-12/h9-10H,4-7H2,1-3H3
InChIKeyFFDPSYDGOQQDGX-UHFFFAOYSA-N
MW221.30 g/mol
LogP0.70
Rot. Bonds2

About 1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile

1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile (PubChem CID 81464602) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile
PubChem CID81464602
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile
SMILESCC1CN(C(=O)C2(C#N)CC2)CC1N(C)C
InChIInChI=1S/C12H19N3O/c1-9-6-15(7-10(9)14(2)3)11(16)12(8-13)4-5-12/h9-10H,4-7H2,1-3H3
InChIKeyFFDPSYDGOQQDGX-UHFFFAOYSA-N
XLogP0.70
TPSA47.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile (CID 81464602) is 1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile is CC1CN(C(=O)C2(C#N)CC2)CC1N(C)C.
What is the InChIKey of 1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile?
The InChIKey is FFDPSYDGOQQDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-9-6-15(7-10(9)14(2)3)11(16)12(8-13)4-5-12/h9-10H,4-7H2,1-3H3.
What are the key properties of 1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile?
1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile has a molecular weight of 221.30 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(dimethylamino)-4-methylpyrrolidine-1-carbonyl]cyclopropane-1-carbonitrile is sourced from PubChem (CID 81464602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).