N-[(Z)-C-(formamidomethyl)-N-hydroxycarbonimidoyl]-2-methylpropanamide

C7H13N3O3 — CID 135528302

IUPACN-[(Z)-C-(formamidomethyl)-N-hydroxycarbonimidoyl]-2-methylpropanamide
SMILESCC(C)C(=O)N/C(CNC=O)=N\O
InChIInChI=1S/C7H13N3O3/c1-5(2)7(12)9-6(10-13)3-8-4-11/h4-5,13H,3H2,1-2H3,(H,8,11)(H,9,10,12)
InChIKeyZXAMUYHFBCMOIV-UHFFFAOYSA-N
MW187.20 g/mol
LogP-0.71
Rot. Bonds4

About N-[(Z)-C-(formamidomethyl)-N-hydroxycarbonimidoyl]-2-methylpropanamide

N-[(Z)-C-(formamidomethyl)-N-hydroxycarbonimidoyl]-2-methylpropanamide (PubChem CID 135528302) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is N-[(Z)-C-(formamidomethyl)-N-hydroxycarbonimidoyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[(Z)-C-(formamidomethyl)-N-hydroxycarbonimidoyl]-2-methylpropanamide
PubChem CID135528302
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC NameN-[(Z)-C-(formamidomethyl)-N-hydroxycarbonimidoyl]-2-methylpropanamide
SMILESCC(C)C(=O)N/C(CNC=O)=N\O
InChIInChI=1S/C7H13N3O3/c1-5(2)7(12)9-6(10-13)3-8-4-11/h4-5,13H,3H2,1-2H3,(H,8,11)(H,9,10,12)
InChIKeyZXAMUYHFBCMOIV-UHFFFAOYSA-N
XLogP-0.71
TPSA90.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-C-(formamidomethyl)-N-hydroxycarbonimidoyl]-2-methylpropanamide?
The IUPAC name of N-[(Z)-C-(formamidomethyl)-N-hydroxycarbonimidoyl]-2-methylpropanamide (CID 135528302) is N-[(Z)-C-(formamidomethyl)-N-hydroxycarbonimidoyl]-2-methylpropanamide.
What is the SMILES notation for N-[(Z)-C-(formamidomethyl)-N-hydroxycarbonimidoyl]-2-methylpropanamide?
The canonical SMILES for N-[(Z)-C-(formamidomethyl)-N-hydroxycarbonimidoyl]-2-methylpropanamide is CC(C)C(=O)N/C(CNC=O)=N\O.
What is the InChIKey of N-[(Z)-C-(formamidomethyl)-N-hydroxycarbonimidoyl]-2-methylpropanamide?
The InChIKey is ZXAMUYHFBCMOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c1-5(2)7(12)9-6(10-13)3-8-4-11/h4-5,13H,3H2,1-2H3,(H,8,11)(H,9,10,12).
What are the key properties of N-[(Z)-C-(formamidomethyl)-N-hydroxycarbonimidoyl]-2-methylpropanamide?
N-[(Z)-C-(formamidomethyl)-N-hydroxycarbonimidoyl]-2-methylpropanamide has a molecular weight of 187.20 g/mol, XLogP of -0.71, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-C-(formamidomethyl)-N-hydroxycarbonimidoyl]-2-methylpropanamide is sourced from PubChem (CID 135528302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).