N-(3-aminoprop-1-enyl)-N-methylformamide

C5H10N2O — CID 173464969

IUPACN-(3-aminoprop-1-enyl)-N-methylformamide
SMILESCN(C=O)C=CCN
InChIInChI=1S/C5H10N2O/c1-7(5-8)4-2-3-6/h2,4-5H,3,6H2,1H3
InChIKeyCCJSIXSXHHOFFS-UHFFFAOYSA-N
MW114.15 g/mol
LogP-0.45
Rot. Bonds3

About N-(3-aminoprop-1-enyl)-N-methylformamide

N-(3-aminoprop-1-enyl)-N-methylformamide (PubChem CID 173464969) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is N-(3-aminoprop-1-enyl)-N-methylformamide.

Molecular Properties

Compound NameN-(3-aminoprop-1-enyl)-N-methylformamide
PubChem CID173464969
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameN-(3-aminoprop-1-enyl)-N-methylformamide
SMILESCN(C=O)C=CCN
InChIInChI=1S/C5H10N2O/c1-7(5-8)4-2-3-6/h2,4-5H,3,6H2,1H3
InChIKeyCCJSIXSXHHOFFS-UHFFFAOYSA-N
XLogP-0.45
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3-aminoprop-1-enyl)-N-methylformamide?
The IUPAC name of N-(3-aminoprop-1-enyl)-N-methylformamide (CID 173464969) is N-(3-aminoprop-1-enyl)-N-methylformamide.
What is the SMILES notation for N-(3-aminoprop-1-enyl)-N-methylformamide?
The canonical SMILES for N-(3-aminoprop-1-enyl)-N-methylformamide is CN(C=O)C=CCN.
What is the InChIKey of N-(3-aminoprop-1-enyl)-N-methylformamide?
The InChIKey is CCJSIXSXHHOFFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10N2O/c1-7(5-8)4-2-3-6/h2,4-5H,3,6H2,1H3.
What are the key properties of N-(3-aminoprop-1-enyl)-N-methylformamide?
N-(3-aminoprop-1-enyl)-N-methylformamide has a molecular weight of 114.15 g/mol, XLogP of -0.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminoprop-1-enyl)-N-methylformamide is sourced from PubChem (CID 173464969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).