N-(prop-2-enoylamino)formamide

C4H6N2O2 — CID 15120466

IUPACN-(prop-2-enoylamino)formamide
SMILESC=CC(=O)NNC=O
InChIInChI=1S/C4H6N2O2/c1-2-4(8)6-5-3-7/h2-3H,1H2,(H,5,7)(H,6,8)
InChIKeyZTCGEOZKAWILDY-UHFFFAOYSA-N
MW114.10 g/mol
LogP-1.05
Rot. Bonds3

About N-(prop-2-enoylamino)formamide

N-(prop-2-enoylamino)formamide (PubChem CID 15120466) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is N-(prop-2-enoylamino)formamide.

Molecular Properties

Compound NameN-(prop-2-enoylamino)formamide
PubChem CID15120466
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC NameN-(prop-2-enoylamino)formamide
SMILESC=CC(=O)NNC=O
InChIInChI=1S/C4H6N2O2/c1-2-4(8)6-5-3-7/h2-3H,1H2,(H,5,7)(H,6,8)
InChIKeyZTCGEOZKAWILDY-UHFFFAOYSA-N
XLogP-1.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(prop-2-enoylamino)formamide?
The IUPAC name of N-(prop-2-enoylamino)formamide (CID 15120466) is N-(prop-2-enoylamino)formamide.
What is the SMILES notation for N-(prop-2-enoylamino)formamide?
The canonical SMILES for N-(prop-2-enoylamino)formamide is C=CC(=O)NNC=O.
What is the InChIKey of N-(prop-2-enoylamino)formamide?
The InChIKey is ZTCGEOZKAWILDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c1-2-4(8)6-5-3-7/h2-3H,1H2,(H,5,7)(H,6,8).
What are the key properties of N-(prop-2-enoylamino)formamide?
N-(prop-2-enoylamino)formamide has a molecular weight of 114.10 g/mol, XLogP of -1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(prop-2-enoylamino)formamide is sourced from PubChem (CID 15120466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).