2-(furan-3-ylamino)acetonitrile

C6H6N2O — CID 19891029

IUPAC2-(furan-3-ylamino)acetonitrile
SMILESN#CCNc1ccoc1
InChIInChI=1S/C6H6N2O/c7-2-3-8-6-1-4-9-5-6/h1,4-5,8H,3H2
InChIKeyNNBVPNKDBCGVAR-UHFFFAOYSA-N
MW122.13 g/mol
LogP1.22
Rot. Bonds2

About 2-(furan-3-ylamino)acetonitrile

2-(furan-3-ylamino)acetonitrile (PubChem CID 19891029) has the molecular formula C6H6N2O and a molecular weight of 122.13 g/mol. Its IUPAC name is 2-(furan-3-ylamino)acetonitrile.

Molecular Properties

Compound Name2-(furan-3-ylamino)acetonitrile
PubChem CID19891029
Molecular FormulaC6H6N2O
Molecular Weight122.13 g/mol
Exact Mass122.05
IUPAC Name2-(furan-3-ylamino)acetonitrile
SMILESN#CCNc1ccoc1
InChIInChI=1S/C6H6N2O/c7-2-3-8-6-1-4-9-5-6/h1,4-5,8H,3H2
InChIKeyNNBVPNKDBCGVAR-UHFFFAOYSA-N
XLogP1.22
TPSA48.96 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.13
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Acetamidofuran
CID 521882
Ammonium, (3-furyl)trimethyl-, iodide
CID 199990
4-(Furan-3-yl)morpholine
CID 12009355
3-Furylalanine
CID 22875442
3-Furylaminobutyric acid
CID 68798095
3-Furylurea
CID 101076529
Furan-3-yl(trimethyl)azanium
CID 199991
N-(2-fluoroethyl)furan-3-amine
CID 140143628
N-(2,2-difluoroethyl)furan-3-amine
CID 151412690
N-(furan-3-yl)pent-4-enamide
CID 11105709
Dihydrofuro[3,4-b]pyridine
CID 129795109
N,N-diethylfuran-3-amine
CID 12009356

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylamino)acetonitrile?
The IUPAC name of 2-(furan-3-ylamino)acetonitrile (CID 19891029) is 2-(furan-3-ylamino)acetonitrile.
What is the SMILES notation for 2-(furan-3-ylamino)acetonitrile?
The canonical SMILES for 2-(furan-3-ylamino)acetonitrile is N#CCNc1ccoc1.
What is the InChIKey of 2-(furan-3-ylamino)acetonitrile?
The InChIKey is NNBVPNKDBCGVAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6N2O/c7-2-3-8-6-1-4-9-5-6/h1,4-5,8H,3H2.
What are the key properties of 2-(furan-3-ylamino)acetonitrile?
2-(furan-3-ylamino)acetonitrile has a molecular weight of 122.13 g/mol, XLogP of 1.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-ylamino)acetonitrile is sourced from PubChem (CID 19891029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).