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

C10H17N3O2 — CID 80597435

IUPACN-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-methylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1(C(N)=NO)CCC1)C1CC1
InChIInChI=1S/C10H17N3O2/c1-13(7-3-4-7)9(14)10(5-2-6-10)8(11)12-15/h7,15H,2-6H2,1H3,(H2,11,12)
InChIKeyDIZWSTFMXHSEPF-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.52
Rot. Bonds3

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

N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-methylcyclobutane-1-carboxamide (PubChem CID 80597435) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-methylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-methylcyclobutane-1-carboxamide
PubChem CID80597435
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC NameN-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-methylcyclobutane-1-carboxamide
SMILESCN(C(=O)C1(C(N)=NO)CCC1)C1CC1
InChIInChI=1S/C10H17N3O2/c1-13(7-3-4-7)9(14)10(5-2-6-10)8(11)12-15/h7,15H,2-6H2,1H3,(H2,11,12)
InChIKeyDIZWSTFMXHSEPF-UHFFFAOYSA-N
XLogP0.52
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.52
H-Bond Donors ≤ 52
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-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-methylcycloheptane-1-carboxamide
CID 76919966
N-cyclohexyl-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopentane-1-carboxamide
CID 76920039
N-(4-ethylcyclohexyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide
CID 80597766
N-cyclopropyl-N-ethyl-1-(N'-hydroxycarbamimidoyl)cycloheptane-1-carboxamide
CID 76919861
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-(thiolan-3-yl)cyclopropane-1-carboxamide
CID 80596761
N-butyl-N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)cyclobutane-1-carboxamide
CID 80597608
N-(1,1-dioxothiolan-3-yl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclopropane-1-carboxamide
CID 80597376
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 80591437
1-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 80590609
N-(1,1-dioxothiolan-3-yl)-4-(N'-hydroxycarbamimidoyl)-N-methyloxane-4-carboxamide
CID 76920716
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)cycloheptane-1-carboxamide
CID 76921369
1-(N'-hydroxycarbamimidoyl)-N-methyl-N-propan-2-ylcyclopentane-1-carboxamide
CID 76920249

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-methylcyclobutane-1-carboxamide?
The IUPAC name of N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-methylcyclobutane-1-carboxamide (CID 80597435) is N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-methylcyclobutane-1-carboxamide.
What is the SMILES notation for N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-methylcyclobutane-1-carboxamide?
The canonical SMILES for N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-methylcyclobutane-1-carboxamide is CN(C(=O)C1(C(N)=NO)CCC1)C1CC1.
What is the InChIKey of N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-methylcyclobutane-1-carboxamide?
The InChIKey is DIZWSTFMXHSEPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-13(7-3-4-7)9(14)10(5-2-6-10)8(11)12-15/h7,15H,2-6H2,1H3,(H2,11,12).
What are the key properties of N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-methylcyclobutane-1-carboxamide?
N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-methylcyclobutane-1-carboxamide has a molecular weight of 211.26 g/mol, XLogP of 0.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-(N'-hydroxycarbamimidoyl)-N-methylcyclobutane-1-carboxamide is sourced from PubChem (CID 80597435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).