N-prop-2-enylformamide;hydrochloride

C4H8ClNO — CID 174877694

IUPACN-prop-2-enylformamide;hydrochloride
SMILESC=CCNC=O.Cl
InChIInChI=1S/C4H7NO.ClH/c1-2-3-5-4-6;/h2,4H,1,3H2,(H,5,6);1H
InChIKeyVBPSWSCYIDPRHW-UHFFFAOYSA-N
MW121.57 g/mol
LogP0.34
Rot. Bonds3

About N-prop-2-enylformamide;hydrochloride

N-prop-2-enylformamide;hydrochloride (PubChem CID 174877694) has the molecular formula C4H8ClNO and a molecular weight of 121.57 g/mol. Its IUPAC name is N-prop-2-enylformamide;hydrochloride.

Molecular Properties

Compound NameN-prop-2-enylformamide;hydrochloride
PubChem CID174877694
Molecular FormulaC4H8ClNO
Molecular Weight121.57 g/mol
Exact Mass121.03
IUPAC NameN-prop-2-enylformamide;hydrochloride
SMILESC=CCNC=O.Cl
InChIInChI=1S/C4H7NO.ClH/c1-2-3-5-4-6;/h2,4H,1,3H2,(H,5,6);1H
InChIKeyVBPSWSCYIDPRHW-UHFFFAOYSA-N
XLogP0.34
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.57
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enylformamide;hydrochloride?
The IUPAC name of N-prop-2-enylformamide;hydrochloride (CID 174877694) is N-prop-2-enylformamide;hydrochloride.
What is the SMILES notation for N-prop-2-enylformamide;hydrochloride?
The canonical SMILES for N-prop-2-enylformamide;hydrochloride is C=CCNC=O.Cl.
What is the InChIKey of N-prop-2-enylformamide;hydrochloride?
The InChIKey is VBPSWSCYIDPRHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7NO.ClH/c1-2-3-5-4-6;/h2,4H,1,3H2,(H,5,6);1H.
What are the key properties of N-prop-2-enylformamide;hydrochloride?
N-prop-2-enylformamide;hydrochloride has a molecular weight of 121.57 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enylformamide;hydrochloride is sourced from PubChem (CID 174877694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).