1-(ethylamino)-3-iminopropan-2-one

C5H10N2O — CID 123214763

IUPAC1-(ethylamino)-3-iminopropan-2-one
SMILES[H]/N=C/C(=O)CNCC
InChIInChI=1S/C5H10N2O/c1-2-7-4-5(8)3-6/h3,6-7H,2,4H2,1H3/b6-3+
InChIKeyVOJOAOWTOJGTFQ-ZZXKWVIFSA-N
MW114.15 g/mol
LogP-0.19
Rot. Bonds4

About 1-(ethylamino)-3-iminopropan-2-one

1-(ethylamino)-3-iminopropan-2-one (PubChem CID 123214763) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is 1-(ethylamino)-3-iminopropan-2-one.

Molecular Properties

Compound Name1-(ethylamino)-3-iminopropan-2-one
PubChem CID123214763
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Name1-(ethylamino)-3-iminopropan-2-one
SMILES[H]/N=C/C(=O)CNCC
InChIInChI=1S/C5H10N2O/c1-2-7-4-5(8)3-6/h3,6-7H,2,4H2,1H3/b6-3+
InChIKeyVOJOAOWTOJGTFQ-ZZXKWVIFSA-N
XLogP-0.19
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 1-(ethylamino)-3-iminopropan-2-one?
The IUPAC name of 1-(ethylamino)-3-iminopropan-2-one (CID 123214763) is 1-(ethylamino)-3-iminopropan-2-one.
What is the SMILES notation for 1-(ethylamino)-3-iminopropan-2-one?
The canonical SMILES for 1-(ethylamino)-3-iminopropan-2-one is [H]/N=C/C(=O)CNCC.
What is the InChIKey of 1-(ethylamino)-3-iminopropan-2-one?
The InChIKey is VOJOAOWTOJGTFQ-ZZXKWVIFSA-N. The full InChI is InChI=1S/C5H10N2O/c1-2-7-4-5(8)3-6/h3,6-7H,2,4H2,1H3/b6-3+.
What are the key properties of 1-(ethylamino)-3-iminopropan-2-one?
1-(ethylamino)-3-iminopropan-2-one has a molecular weight of 114.15 g/mol, XLogP of -0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethylamino)-3-iminopropan-2-one is sourced from PubChem (CID 123214763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).