N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopropanecarboxamide

C11H13N3O2 — CID 6219246

IUPACN-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopropanecarboxamide
SMILESN/C(=N/O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C11H13N3O2/c12-10(14-16)7-3-5-9(6-4-7)13-11(15)8-1-2-8/h3-6,8,16H,1-2H2,(H2,12,14)(H,13,15)
InChIKeyJHOODYBRXMCBMO-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.13
Rot. Bonds3

About N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopropanecarboxamide

N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopropanecarboxamide (PubChem CID 6219246) has the molecular formula C11H13N3O2 and a molecular weight of 219.24 g/mol. Its IUPAC name is N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopropanecarboxamide
PubChem CID6219246
Molecular FormulaC11H13N3O2
Molecular Weight219.24 g/mol
Exact Mass219.10
IUPAC NameN-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopropanecarboxamide
SMILESN/C(=N/O)c1ccc(NC(=O)C2CC2)cc1
InChIInChI=1S/C11H13N3O2/c12-10(14-16)7-3-5-9(6-4-7)13-11(15)8-1-2-8/h3-6,8,16H,1-2H2,(H2,12,14)(H,13,15)
InChIKeyJHOODYBRXMCBMO-UHFFFAOYSA-N
XLogP1.13
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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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Related Compounds

N-[4-[(1Z)-1,4,4-triaminobuta-1,3-dienyl]phenyl]cyclopropanecarboxamide
CID 165403886
N-[4-(N'-hydroxycarbamimidoyl)phenyl]pyrrolidine-1-carboxamide
CID 79161552
N-[4-(cyclopropanecarbonylamino)phenyl]cyclohexanecarboxamide
CID 25276011
N,N'-bis[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanediamide
CID 59542856
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]-N'-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]pentanediamide
CID 46945588
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopentanecarboxamide
CID 107809931
N-(4-fluorophenyl)cyclopropanecarboxamide
CID 532027
N-[2-chloro-4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cycloheptanecarboxamide
CID 107809919
N-[4-(N'-hydroxycarbamimidoyl)phenyl]-3-methylpiperidine-1-carboxamide
CID 79163310
4-N-(4-acetylphenyl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150327
N-(4-bromophenyl)-4-(cyclopropanecarbonylamino)benzamide
CID 26913884
tert-butyl N-[4-[[3,5-bis[4-[(Z)-N'-hydroxycarbamimidoyl]phenoxy]phenyl]carbamoyl]cyclohexyl]carbamate
CID 87166833

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopropanecarboxamide (CID 6219246) is N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopropanecarboxamide is N/C(=N/O)c1ccc(NC(=O)C2CC2)cc1.
What is the InChIKey of N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopropanecarboxamide?
The InChIKey is JHOODYBRXMCBMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O2/c12-10(14-16)7-3-5-9(6-4-7)13-11(15)8-1-2-8/h3-6,8,16H,1-2H2,(H2,12,14)(H,13,15).
What are the key properties of N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopropanecarboxamide?
N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopropanecarboxamide has a molecular weight of 219.24 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-N'-hydroxycarbamimidoyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 6219246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).