3-amino-3-(furan-2-yl)prop-2-enenitrile

C7H6N2O — CID 69283548

IUPAC3-amino-3-(furan-2-yl)prop-2-enenitrile
SMILESN#CC=C(N)c1ccco1
InChIInChI=1S/C7H6N2O/c8-4-3-6(9)7-2-1-5-10-7/h1-3,5H,9H2
InChIKeyRMBMDUIAPFPCAI-UHFFFAOYSA-N
MW134.14 g/mol
LogP1.10
Rot. Bonds1

About 3-amino-3-(furan-2-yl)prop-2-enenitrile

3-amino-3-(furan-2-yl)prop-2-enenitrile (PubChem CID 69283548) has the molecular formula C7H6N2O and a molecular weight of 134.14 g/mol. Its IUPAC name is 3-amino-3-(furan-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name3-amino-3-(furan-2-yl)prop-2-enenitrile
PubChem CID69283548
Molecular FormulaC7H6N2O
Molecular Weight134.14 g/mol
Exact Mass134.05
IUPAC Name3-amino-3-(furan-2-yl)prop-2-enenitrile
SMILESN#CC=C(N)c1ccco1
InChIInChI=1S/C7H6N2O/c8-4-3-6(9)7-2-1-5-10-7/h1-3,5H,9H2
InChIKeyRMBMDUIAPFPCAI-UHFFFAOYSA-N
XLogP1.10
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.14
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-(furan-2-yl)pent-2-enenitrile
CID 71383305
ethane;(E)-3-(furan-2-yl)pent-2-enenitrile
CID 159560899
(1E,3Z)-1-chloro-4-(furan-2-yl)buta-1,3-diene-1,4-diamine
CID 178014645
N'-cyanofuran-2-carboximidamide;hydrochloride
CID 75485317
(Z)-2-(furan-2-yl)-3-hydroxyprop-2-enenitrile
CID 119089971
(Z)-3-amino-2-(furan-2-carbonyl)but-2-enenitrile
CID 11332786
furan-2-carboxamide;molecular hydrogen
CID 145259960
(Z)-4,4,4-trifluoro-1-(furan-2-yl)-3-iminobut-1-en-1-amine
CID 162584999
(Z)-but-2-enedioic acid;furan-2-carboxamide
CID 161348796
4,5-dihydro-1,3-thiazol-2-ylcyanamide;furan-2-carboxamide
CID 175053014
N-(diaminomethylideneamino)furan-2-carboxamide
CID 15761647
N,N'-diaminofuran-2-carboximidamide
CID 145191959

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(furan-2-yl)prop-2-enenitrile?
The IUPAC name of 3-amino-3-(furan-2-yl)prop-2-enenitrile (CID 69283548) is 3-amino-3-(furan-2-yl)prop-2-enenitrile.
What is the SMILES notation for 3-amino-3-(furan-2-yl)prop-2-enenitrile?
The canonical SMILES for 3-amino-3-(furan-2-yl)prop-2-enenitrile is N#CC=C(N)c1ccco1.
What is the InChIKey of 3-amino-3-(furan-2-yl)prop-2-enenitrile?
The InChIKey is RMBMDUIAPFPCAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O/c8-4-3-6(9)7-2-1-5-10-7/h1-3,5H,9H2.
What are the key properties of 3-amino-3-(furan-2-yl)prop-2-enenitrile?
3-amino-3-(furan-2-yl)prop-2-enenitrile has a molecular weight of 134.14 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(furan-2-yl)prop-2-enenitrile is sourced from PubChem (CID 69283548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).