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

C7H13N3O — CID 139357874

IUPACN-[(E)-1-amino-3-iminoprop-1-en-2-yl]-2-methylpropanamide
SMILES[H]/N=C/C(=C\N)NC(=O)C(C)C
InChIInChI=1S/C7H13N3O/c1-5(2)7(11)10-6(3-8)4-9/h3-5,8H,9H2,1-2H3,(H,10,11)/b6-4+,8-3+
InChIKeyFWAOZTCYFLSMRB-APHNTDFBSA-N
MW155.20 g/mol
LogP0.21
Rot. Bonds3

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

N-[(E)-1-amino-3-iminoprop-1-en-2-yl]-2-methylpropanamide (PubChem CID 139357874) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N-[(E)-1-amino-3-iminoprop-1-en-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(E)-1-amino-3-iminoprop-1-en-2-yl]-2-methylpropanamide
PubChem CID139357874
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN-[(E)-1-amino-3-iminoprop-1-en-2-yl]-2-methylpropanamide
SMILES[H]/N=C/C(=C\N)NC(=O)C(C)C
InChIInChI=1S/C7H13N3O/c1-5(2)7(11)10-6(3-8)4-9/h3-5,8H,9H2,1-2H3,(H,10,11)/b6-4+,8-3+
InChIKeyFWAOZTCYFLSMRB-APHNTDFBSA-N
XLogP0.21
TPSA78.97 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

CID 45788300
CID 45788300
CID 89156140
CID 89156140
CID 134566878
CID 134566878
CID 144079068
CID 144079068
CID 145083664
CID 145083664
CID 147769981
CID 147769981
CID 148545749
CID 148545749
CID 149515691
CID 149515691
CID 166654801
CID 166654801
CID 169144759
CID 169144759
CID 170752207
CID 170752207
CID 143280028
CID 143280028

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1-amino-3-iminoprop-1-en-2-yl]-2-methylpropanamide?
The IUPAC name of N-[(E)-1-amino-3-iminoprop-1-en-2-yl]-2-methylpropanamide (CID 139357874) is N-[(E)-1-amino-3-iminoprop-1-en-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[(E)-1-amino-3-iminoprop-1-en-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[(E)-1-amino-3-iminoprop-1-en-2-yl]-2-methylpropanamide is [H]/N=C/C(=C\N)NC(=O)C(C)C.
What is the InChIKey of N-[(E)-1-amino-3-iminoprop-1-en-2-yl]-2-methylpropanamide?
The InChIKey is FWAOZTCYFLSMRB-APHNTDFBSA-N. The full InChI is InChI=1S/C7H13N3O/c1-5(2)7(11)10-6(3-8)4-9/h3-5,8H,9H2,1-2H3,(H,10,11)/b6-4+,8-3+.
What are the key properties of N-[(E)-1-amino-3-iminoprop-1-en-2-yl]-2-methylpropanamide?
N-[(E)-1-amino-3-iminoprop-1-en-2-yl]-2-methylpropanamide has a molecular weight of 155.20 g/mol, XLogP of 0.21, 3 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]-2-methylpropanamide is sourced from PubChem (CID 139357874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).