N-ethyl-3-iminopropanamide

C5H10N2O — CID 123320550

IUPACN-ethyl-3-iminopropanamide
SMILES[H]/N=C/CC(=O)NCC
InChIInChI=1S/C5H10N2O/c1-2-7-5(8)3-4-6/h4,6H,2-3H2,1H3,(H,7,8)/b6-4+
InChIKeySHDKTFSGWAIJBT-GQCTYLIASA-N
MW114.15 g/mol
LogP0.16
Rot. Bonds3

About N-ethyl-3-iminopropanamide

N-ethyl-3-iminopropanamide (PubChem CID 123320550) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is N-ethyl-3-iminopropanamide.

Molecular Properties

Compound NameN-ethyl-3-iminopropanamide
PubChem CID123320550
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC NameN-ethyl-3-iminopropanamide
SMILES[H]/N=C/CC(=O)NCC
InChIInChI=1S/C5H10N2O/c1-2-7-5(8)3-4-6/h4,6H,2-3H2,1H3,(H,7,8)/b6-4+
InChIKeySHDKTFSGWAIJBT-GQCTYLIASA-N
XLogP0.16
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-iminopropanamide?
The IUPAC name of N-ethyl-3-iminopropanamide (CID 123320550) is N-ethyl-3-iminopropanamide.
What is the SMILES notation for N-ethyl-3-iminopropanamide?
The canonical SMILES for N-ethyl-3-iminopropanamide is [H]/N=C/CC(=O)NCC.
What is the InChIKey of N-ethyl-3-iminopropanamide?
The InChIKey is SHDKTFSGWAIJBT-GQCTYLIASA-N. The full InChI is InChI=1S/C5H10N2O/c1-2-7-5(8)3-4-6/h4,6H,2-3H2,1H3,(H,7,8)/b6-4+.
What are the key properties of N-ethyl-3-iminopropanamide?
N-ethyl-3-iminopropanamide has a molecular weight of 114.15 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-iminopropanamide is sourced from PubChem (CID 123320550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).