N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide

C11H21N3O2 — CID 76987598

IUPACN-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide
SMILESCC(CC(N)=NO)N(C)C(=O)C1CCCC1
InChIInChI=1S/C11H21N3O2/c1-8(7-10(12)13-16)14(2)11(15)9-5-3-4-6-9/h8-9,16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyWRWDFRJERVTMRJ-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.16
Rot. Bonds4

About N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide

N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide (PubChem CID 76987598) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide
PubChem CID76987598
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC NameN-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide
SMILESCC(CC(N)=NO)N(C)C(=O)C1CCCC1
InChIInChI=1S/C11H21N3O2/c1-8(7-10(12)13-16)14(2)11(15)9-5-3-4-6-9/h8-9,16H,3-7H2,1-2H3,(H2,12,13)
InChIKeyWRWDFRJERVTMRJ-UHFFFAOYSA-N
XLogP1.16
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.16
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-(4-amino-4-hydroxyiminobutan-2-yl)-N-methyloxolane-3-carboxamide
CID 76987480
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylthiolane-2-carboxamide
CID 77021525
N-(4-amino-4-hydroxyiminobutan-2-yl)-3-cyclopentyl-N-methylpropanamide
CID 76987836
N-(4-amino-4-hydroxyiminobutan-2-yl)-2-cyclopropyl-N-methylacetamide
CID 76987659
N-butan-2-yl-N-methylcyclohexanecarboxamide
CID 153425265
N-(1-amino-1-hydroxyiminopropan-2-yl)-N-methylcyclooctanecarboxamide
CID 77052808
N-(4-amino-4-hydroxyiminobutan-2-yl)-N,2-dimethylpropanamide
CID 76987705
N-(1-aminopropan-2-yl)-N-methylcyclobutanecarboxamide
CID 82503227
N-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide
CID 115869363
1-(4-amino-4-hydroxyiminobutan-2-yl)-1-methyl-3-propan-2-ylurea
CID 76987840
N-(1-chloropropan-2-yl)-N-methylcyclooctanecarboxamide
CID 104555564
3-[cyclobutyl(methyl)amino]-N'-hydroxybutanimidamide
CID 104873509

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide?
The IUPAC name of N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide (CID 76987598) is N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide.
What is the SMILES notation for N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide?
The canonical SMILES for N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide is CC(CC(N)=NO)N(C)C(=O)C1CCCC1.
What is the InChIKey of N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide?
The InChIKey is WRWDFRJERVTMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-8(7-10(12)13-16)14(2)11(15)9-5-3-4-6-9/h8-9,16H,3-7H2,1-2H3,(H2,12,13).
What are the key properties of N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide?
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide has a molecular weight of 227.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide is sourced from PubChem (CID 76987598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).