3-amino-3-thiophen-3-ylprop-2-enenitrile

C7H6N2S — CID 54536012

IUPAC3-amino-3-thiophen-3-ylprop-2-enenitrile
SMILESN#CC=C(N)c1ccsc1
InChIInChI=1S/C7H6N2S/c8-3-1-7(9)6-2-4-10-5-6/h1-2,4-5H,9H2
InChIKeyYZVFYPAMRUKVHG-UHFFFAOYSA-N
MW150.21 g/mol
LogP1.57
Rot. Bonds1

About 3-amino-3-thiophen-3-ylprop-2-enenitrile

3-amino-3-thiophen-3-ylprop-2-enenitrile (PubChem CID 54536012) has the molecular formula C7H6N2S and a molecular weight of 150.21 g/mol. Its IUPAC name is 3-amino-3-thiophen-3-ylprop-2-enenitrile.

Molecular Properties

Compound Name3-amino-3-thiophen-3-ylprop-2-enenitrile
PubChem CID54536012
Molecular FormulaC7H6N2S
Molecular Weight150.21 g/mol
Exact Mass150.03
IUPAC Name3-amino-3-thiophen-3-ylprop-2-enenitrile
SMILESN#CC=C(N)c1ccsc1
InChIInChI=1S/C7H6N2S/c8-3-1-7(9)6-2-4-10-5-6/h1-2,4-5H,9H2
InChIKeyYZVFYPAMRUKVHG-UHFFFAOYSA-N
XLogP1.57
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.21
LogP ≤ 51.57
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-amino-3-(4-iodophenyl)prop-2-enenitrile
CID 70508025
4-[(Z)-1-amino-2-cyanoethenyl]benzonitrile
CID 118357400
[amino(thiophen-3-yl)methylidene]azanium
CID 6932604
thiophene-3-carboximidamide;hydrochloride
CID 2779692
2-hydroxyimino-2-thiophen-3-ylacetonitrile
CID 57325265
3-[(Z)-1-amino-2-cyanoethenyl]benzonitrile
CID 12540170
(Z)-3-cyano-3-thiophen-3-ylprop-2-enoic acid
CID 68504619
3-amino-3-[4-(1,1-difluoroethyl)phenyl]prop-2-enenitrile
CID 67179938
3-(1-chloro-2-iodoethenyl)thiophene
CID 175317820
(Z)-3-(4-bromophenyl)-2-thiophen-3-ylprop-2-enenitrile
CID 24740283
3-amino-3-(3-chloro-4-methylthiophen-2-yl)prop-2-enenitrile
CID 103407255
3-thiophen-3-ylbut-2-en-1-amine
CID 76997053

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-thiophen-3-ylprop-2-enenitrile?
The IUPAC name of 3-amino-3-thiophen-3-ylprop-2-enenitrile (CID 54536012) is 3-amino-3-thiophen-3-ylprop-2-enenitrile.
What is the SMILES notation for 3-amino-3-thiophen-3-ylprop-2-enenitrile?
The canonical SMILES for 3-amino-3-thiophen-3-ylprop-2-enenitrile is N#CC=C(N)c1ccsc1.
What is the InChIKey of 3-amino-3-thiophen-3-ylprop-2-enenitrile?
The InChIKey is YZVFYPAMRUKVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2S/c8-3-1-7(9)6-2-4-10-5-6/h1-2,4-5H,9H2.
What are the key properties of 3-amino-3-thiophen-3-ylprop-2-enenitrile?
3-amino-3-thiophen-3-ylprop-2-enenitrile has a molecular weight of 150.21 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-thiophen-3-ylprop-2-enenitrile is sourced from PubChem (CID 54536012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).