2-(prop-1-en-2-ylamino)acetonitrile

C5H8N2 — CID 55299414

IUPAC2-(prop-1-en-2-ylamino)acetonitrile
SMILESC=C(C)NCC#N
InChIInChI=1S/C5H8N2/c1-5(2)7-4-3-6/h7H,1,4H2,2H3
InChIKeyHYZPBKDVNQOLSR-UHFFFAOYSA-N
MW96.13 g/mol
LogP0.63
Rot. Bonds2

About 2-(prop-1-en-2-ylamino)acetonitrile

2-(prop-1-en-2-ylamino)acetonitrile (PubChem CID 55299414) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is 2-(prop-1-en-2-ylamino)acetonitrile.

Molecular Properties

Compound Name2-(prop-1-en-2-ylamino)acetonitrile
PubChem CID55299414
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name2-(prop-1-en-2-ylamino)acetonitrile
SMILESC=C(C)NCC#N
InChIInChI=1S/C5H8N2/c1-5(2)7-4-3-6/h7H,1,4H2,2H3
InChIKeyHYZPBKDVNQOLSR-UHFFFAOYSA-N
XLogP0.63
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(prop-1-en-2-ylamino)acetonitrile?
The IUPAC name of 2-(prop-1-en-2-ylamino)acetonitrile (CID 55299414) is 2-(prop-1-en-2-ylamino)acetonitrile.
What is the SMILES notation for 2-(prop-1-en-2-ylamino)acetonitrile?
The canonical SMILES for 2-(prop-1-en-2-ylamino)acetonitrile is C=C(C)NCC#N.
What is the InChIKey of 2-(prop-1-en-2-ylamino)acetonitrile?
The InChIKey is HYZPBKDVNQOLSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2/c1-5(2)7-4-3-6/h7H,1,4H2,2H3.
What are the key properties of 2-(prop-1-en-2-ylamino)acetonitrile?
2-(prop-1-en-2-ylamino)acetonitrile has a molecular weight of 96.13 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-1-en-2-ylamino)acetonitrile is sourced from PubChem (CID 55299414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).