N-(1-cyclopropylpropan-2-yl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentane-1-carboxamide

C13H23N3O2 — CID 63993991

IUPACN-(1-cyclopropylpropan-2-yl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentane-1-carboxamide
SMILESCC(CC1CC1)NC(=O)C1(/C(N)=N/O)CCCC1
InChIInChI=1S/C13H23N3O2/c1-9(8-10-4-5-10)15-12(17)13(11(14)16-18)6-2-3-7-13/h9-10,18H,2-8H2,1H3,(H2,14,16)(H,15,17)
InChIKeyNBSJNRBSHRCXKT-UHFFFAOYSA-N
MW253.35 g/mol
LogP1.60
Rot. Bonds5

About N-(1-cyclopropylpropan-2-yl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentane-1-carboxamide

N-(1-cyclopropylpropan-2-yl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentane-1-carboxamide (PubChem CID 63993991) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is N-(1-cyclopropylpropan-2-yl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopropylpropan-2-yl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentane-1-carboxamide
PubChem CID63993991
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC NameN-(1-cyclopropylpropan-2-yl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentane-1-carboxamide
SMILESCC(CC1CC1)NC(=O)C1(/C(N)=N/O)CCCC1
InChIInChI=1S/C13H23N3O2/c1-9(8-10-4-5-10)15-12(17)13(11(14)16-18)6-2-3-7-13/h9-10,18H,2-8H2,1H3,(H2,14,16)(H,15,17)
InChIKeyNBSJNRBSHRCXKT-UHFFFAOYSA-N
XLogP1.60
TPSA87.71 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 51.60
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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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpropan-2-yl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentane-1-carboxamide?
The IUPAC name of N-(1-cyclopropylpropan-2-yl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentane-1-carboxamide (CID 63993991) is N-(1-cyclopropylpropan-2-yl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentane-1-carboxamide.
What is the SMILES notation for N-(1-cyclopropylpropan-2-yl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentane-1-carboxamide?
The canonical SMILES for N-(1-cyclopropylpropan-2-yl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentane-1-carboxamide is CC(CC1CC1)NC(=O)C1(/C(N)=N/O)CCCC1.
What is the InChIKey of N-(1-cyclopropylpropan-2-yl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentane-1-carboxamide?
The InChIKey is NBSJNRBSHRCXKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c1-9(8-10-4-5-10)15-12(17)13(11(14)16-18)6-2-3-7-13/h9-10,18H,2-8H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of N-(1-cyclopropylpropan-2-yl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentane-1-carboxamide?
N-(1-cyclopropylpropan-2-yl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentane-1-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 1.60, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpropan-2-yl)-1-[(Z)-N'-hydroxycarbamimidoyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 63993991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).