N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide

C8H13N3O2 — CID 80590677

IUPACN-cyclopropyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NC2CC2)CC1
InChIInChI=1S/C8H13N3O2/c9-6(11-13)8(3-4-8)7(12)10-5-1-2-5/h5,13H,1-4H2,(H2,9,11)(H,10,12)
InChIKeyJTHPFNPWQRPEHL-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.21
Rot. Bonds3

About N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide

N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide (PubChem CID 80590677) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
PubChem CID80590677
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC NameN-cyclopropyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
SMILESNC(=NO)C1(C(=O)NC2CC2)CC1
InChIInChI=1S/C8H13N3O2/c9-6(11-13)8(3-4-8)7(12)10-5-1-2-5/h5,13H,1-4H2,(H2,9,11)(H,10,12)
InChIKeyJTHPFNPWQRPEHL-UHFFFAOYSA-N
XLogP-0.21
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.21
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-cyclooctyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80590605
1-(N'-hydroxycarbamimidoyl)-N-(1-oxothian-4-yl)cyclobutane-1-carboxamide
CID 104864785
N-(1,1-dioxothiolan-3-yl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80591007
N-(4-ethylcyclohexyl)-1-(N'-hydroxycarbamimidoyl)cyclohexane-1-carboxamide
CID 76921140
1-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-4-yl)cycloheptane-1-carboxamide
CID 76919669
1-(N'-hydroxycarbamimidoyl)-N-(3-methylcyclobutyl)cyclohexane-1-carboxamide
CID 104861594
N-cyclohexyl-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80590346
N-(1,1-dioxothian-3-yl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 80594289
N-(1-cyclopropylpyrrolidin-3-yl)-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 80597560
1-(N'-hydroxycarbamimidoyl)-N-(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)cyclobutane-1-carboxamide
CID 80599735
N-(dicyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide
CID 80597089
1-(N'-hydroxycarbamimidoyl)-N-(1-methylpiperidin-3-yl)cycloheptane-1-carboxamide
CID 76920923

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
The IUPAC name of N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide (CID 80590677) is N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide is NC(=NO)C1(C(=O)NC2CC2)CC1.
What is the InChIKey of N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
The InChIKey is JTHPFNPWQRPEHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c9-6(11-13)8(3-4-8)7(12)10-5-1-2-5/h5,13H,1-4H2,(H2,9,11)(H,10,12).
What are the key properties of N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide?
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide has a molecular weight of 183.21 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-cyclopropyl-1-(N'-hydroxycarbamimidoyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 80590677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).