1-[furan-3-ylmethyl(methyl)amino]cyclopropane-1-carbonitrile

C10H12N2O — CID 164650443

IUPAC1-[furan-3-ylmethyl(methyl)amino]cyclopropane-1-carbonitrile
SMILESCN(Cc1ccoc1)C1(C#N)CC1
InChIInChI=1S/C10H12N2O/c1-12(10(8-11)3-4-10)6-9-2-5-13-7-9/h2,5,7H,3-4,6H2,1H3
InChIKeyDLGZEDKMDDWDRL-UHFFFAOYSA-N
MW176.22 g/mol
LogP1.77
Rot. Bonds3

About 1-[furan-3-ylmethyl(methyl)amino]cyclopropane-1-carbonitrile

1-[furan-3-ylmethyl(methyl)amino]cyclopropane-1-carbonitrile (PubChem CID 164650443) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 1-[furan-3-ylmethyl(methyl)amino]cyclopropane-1-carbonitrile.

Molecular Properties

Compound Name1-[furan-3-ylmethyl(methyl)amino]cyclopropane-1-carbonitrile
PubChem CID164650443
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name1-[furan-3-ylmethyl(methyl)amino]cyclopropane-1-carbonitrile
SMILESCN(Cc1ccoc1)C1(C#N)CC1
InChIInChI=1S/C10H12N2O/c1-12(10(8-11)3-4-10)6-9-2-5-13-7-9/h2,5,7H,3-4,6H2,1H3
InChIKeyDLGZEDKMDDWDRL-UHFFFAOYSA-N
XLogP1.77
TPSA40.17 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[furan-3-ylmethyl(methyl)amino]cyclopropane-1-carbonitrile?
The IUPAC name of 1-[furan-3-ylmethyl(methyl)amino]cyclopropane-1-carbonitrile (CID 164650443) is 1-[furan-3-ylmethyl(methyl)amino]cyclopropane-1-carbonitrile.
What is the SMILES notation for 1-[furan-3-ylmethyl(methyl)amino]cyclopropane-1-carbonitrile?
The canonical SMILES for 1-[furan-3-ylmethyl(methyl)amino]cyclopropane-1-carbonitrile is CN(Cc1ccoc1)C1(C#N)CC1.
What is the InChIKey of 1-[furan-3-ylmethyl(methyl)amino]cyclopropane-1-carbonitrile?
The InChIKey is DLGZEDKMDDWDRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O/c1-12(10(8-11)3-4-10)6-9-2-5-13-7-9/h2,5,7H,3-4,6H2,1H3.
What are the key properties of 1-[furan-3-ylmethyl(methyl)amino]cyclopropane-1-carbonitrile?
1-[furan-3-ylmethyl(methyl)amino]cyclopropane-1-carbonitrile has a molecular weight of 176.22 g/mol, XLogP of 1.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[furan-3-ylmethyl(methyl)amino]cyclopropane-1-carbonitrile is sourced from PubChem (CID 164650443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).