N-[(E)-1-amino-3-iminoprop-1-en-2-yl]acetamide

C5H9N3O — CID 148545749

IUPACN-[(E)-1-amino-3-iminoprop-1-en-2-yl]acetamide
SMILES[H]/N=C/C(=C\N)NC(C)=O
InChIInChI=1S/C5H9N3O/c1-4(9)8-5(2-6)3-7/h2-3,6H,7H2,1H3,(H,8,9)/b5-3+,6-2+
InChIKeyMTBDGWAENVYXTP-BNNIKMIXSA-N
MW127.15 g/mol
LogP-0.43
Rot. Bonds2

About N-[(E)-1-amino-3-iminoprop-1-en-2-yl]acetamide

N-[(E)-1-amino-3-iminoprop-1-en-2-yl]acetamide (PubChem CID 148545749) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is N-[(E)-1-amino-3-iminoprop-1-en-2-yl]acetamide.

Molecular Properties

Compound NameN-[(E)-1-amino-3-iminoprop-1-en-2-yl]acetamide
PubChem CID148545749
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC NameN-[(E)-1-amino-3-iminoprop-1-en-2-yl]acetamide
SMILES[H]/N=C/C(=C\N)NC(C)=O
InChIInChI=1S/C5H9N3O/c1-4(9)8-5(2-6)3-7/h2-3,6H,7H2,1H3,(H,8,9)/b5-3+,6-2+
InChIKeyMTBDGWAENVYXTP-BNNIKMIXSA-N
XLogP-0.43
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.43
H-Bond Donors ≤ 53
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 N-[(E)-1-amino-3-iminoprop-1-en-2-yl]acetamide?
The IUPAC name of N-[(E)-1-amino-3-iminoprop-1-en-2-yl]acetamide (CID 148545749) is N-[(E)-1-amino-3-iminoprop-1-en-2-yl]acetamide.
What is the SMILES notation for N-[(E)-1-amino-3-iminoprop-1-en-2-yl]acetamide?
The canonical SMILES for N-[(E)-1-amino-3-iminoprop-1-en-2-yl]acetamide is [H]/N=C/C(=C\N)NC(C)=O.
What is the InChIKey of N-[(E)-1-amino-3-iminoprop-1-en-2-yl]acetamide?
The InChIKey is MTBDGWAENVYXTP-BNNIKMIXSA-N. The full InChI is InChI=1S/C5H9N3O/c1-4(9)8-5(2-6)3-7/h2-3,6H,7H2,1H3,(H,8,9)/b5-3+,6-2+.
What are the key properties of N-[(E)-1-amino-3-iminoprop-1-en-2-yl]acetamide?
N-[(E)-1-amino-3-iminoprop-1-en-2-yl]acetamide has a molecular weight of 127.15 g/mol, XLogP of -0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1-amino-3-iminoprop-1-en-2-yl]acetamide is sourced from PubChem (CID 148545749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).