1-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-3-carbonitrile

C10H16N2O2 — CID 117022304

IUPAC1-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-3-carbonitrile
SMILESCOCCCN1C(=O)CC(C#N)C1C
InChIInChI=1S/C10H16N2O2/c1-8-9(7-11)6-10(13)12(8)4-3-5-14-2/h8-9H,3-6H2,1-2H3
InChIKeyZDSGIZWKFZHXCC-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.78
Rot. Bonds4

About 1-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-3-carbonitrile

1-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-3-carbonitrile (PubChem CID 117022304) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-3-carbonitrile
PubChem CID117022304
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-3-carbonitrile
SMILESCOCCCN1C(=O)CC(C#N)C1C
InChIInChI=1S/C10H16N2O2/c1-8-9(7-11)6-10(13)12(8)4-3-5-14-2/h8-9H,3-6H2,1-2H3
InChIKeyZDSGIZWKFZHXCC-UHFFFAOYSA-N
XLogP0.78
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-2-methyl-5-oxopyrrolidine-3-carbonitrile
CID 117022293
5,7-bis(3-methoxypropyl)-2,3-dithia-5,7-diazabicyclo[2.2.2]octane-6,8-dione
CID 118597012
1-tert-butyl-2-[1-(2-methoxyethyl)pyrazol-4-yl]-5-oxopyrrolidine-3-carbonitrile
CID 122360032
2-(3-methoxypropoxy)cyclopentane-1-carbonitrile
CID 114995829
2-(3-methoxypropyl)-6-methyl-3-oxo-1H-isoindole-1-carbonitrile
CID 110448018
4-chloro-2-(3-methoxypropyl)-3-oxo-1H-isoindole-1-carbonitrile
CID 110448353
2-(2-cyanophenyl)-1-(2-methoxyethyl)-5-oxopyrrolidine-3-carboxylic acid
CID 107936802
1-(3,5-dichlorophenyl)-2-methyl-5-oxopyrrolidine-3-carbonitrile
CID 117022389
4-amino-5-(3,4-dimethoxyphenyl)-1-(3-methoxypropyl)pyrrolidin-2-one
CID 82193192
3-(3-methoxypropyl)-3-azabicyclo[3.1.0]hexan-2-one
CID 115071421
1-(2-methoxyethyl)-4-methylpyrrolidin-2-one
CID 89120787
1-(3-methoxypropoxy)pyrrolidine-2,5-dione
CID 59274176

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-3-carbonitrile?
The IUPAC name of 1-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-3-carbonitrile (CID 117022304) is 1-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-3-carbonitrile?
The canonical SMILES for 1-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-3-carbonitrile is COCCCN1C(=O)CC(C#N)C1C.
What is the InChIKey of 1-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-3-carbonitrile?
The InChIKey is ZDSGIZWKFZHXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-8-9(7-11)6-10(13)12(8)4-3-5-14-2/h8-9H,3-6H2,1-2H3.
What are the key properties of 1-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-3-carbonitrile?
1-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-3-carbonitrile has a molecular weight of 196.25 g/mol, XLogP of 0.78, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropyl)-2-methyl-5-oxopyrrolidine-3-carbonitrile is sourced from PubChem (CID 117022304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).