1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carbonitrile

C11H14N2O — CID 117022408

IUPAC1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carbonitrile
SMILESCC1C(C#N)CCN1Cc1ccco1
InChIInChI=1S/C11H14N2O/c1-9-10(7-12)4-5-13(9)8-11-3-2-6-14-11/h2-3,6,9-10H,4-5,8H2,1H3
InChIKeyYJVUENWMJVPUEG-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.01
Rot. Bonds2

About 1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carbonitrile

1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carbonitrile (PubChem CID 117022408) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carbonitrile.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carbonitrile
PubChem CID117022408
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carbonitrile
SMILESCC1C(C#N)CCN1Cc1ccco1
InChIInChI=1S/C11H14N2O/c1-9-10(7-12)4-5-13(9)8-11-3-2-6-14-11/h2-3,6,9-10H,4-5,8H2,1H3
InChIKeyYJVUENWMJVPUEG-UHFFFAOYSA-N
XLogP2.01
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R,3S)-1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carboxylic acid
CID 96615458
2-methyl-1-(pyridin-2-ylmethyl)pyrrolidine-3-carbonitrile
CID 117022412
(2R,3R)-1-(furan-2-ylmethyl)-2,3-dimethylpiperidin-4-one
CID 6553776
[1-(furan-2-ylmethyl)-4-methylpiperidin-2-yl]methanamine
CID 103440378
1-[2-(furan-2-yl)ethyl]-N,2,3-trimethylpiperidin-4-amine
CID 79398564
1-(furan-2-ylmethyl)-5-methylpyrrolidin-2-one
CID 21364431
[(2R)-1-(furan-2-ylmethyl)pyrrolidin-2-yl]methanamine
CID 94011431
1-(furan-2-ylmethyl)-N,N-dimethylpiperidin-4-amine
CID 91664788
(2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 51440981
1-(furan-2-ylmethyl)-N-methylpiperidin-4-amine;hydrochloride
CID 86253291
2-[cyclopropyl(furan-2-ylmethyl)amino]-4-methylcyclohexane-1-carbonitrile
CID 55003320
methyl (2S)-1-(furan-2-ylmethyl)pyrrolidine-2-carboxylate
CID 26343664

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carbonitrile?
The IUPAC name of 1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carbonitrile (CID 117022408) is 1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carbonitrile.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carbonitrile?
The canonical SMILES for 1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carbonitrile is CC1C(C#N)CCN1Cc1ccco1.
What is the InChIKey of 1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carbonitrile?
The InChIKey is YJVUENWMJVPUEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-9-10(7-12)4-5-13(9)8-11-3-2-6-14-11/h2-3,6,9-10H,4-5,8H2,1H3.
What are the key properties of 1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carbonitrile?
1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carbonitrile has a molecular weight of 190.25 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2-methylpyrrolidine-3-carbonitrile is sourced from PubChem (CID 117022408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).