N-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide

C9H16ClNO — CID 104555934

IUPACN-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide
SMILESCC(CCl)N(C)C(=O)C1CCC1
InChIInChI=1S/C9H16ClNO/c1-7(6-10)11(2)9(12)8-4-3-5-8/h7-8H,3-6H2,1-2H3
InChIKeyLQLVRDYRYSRMJW-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.87
Rot. Bonds3

About N-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide

N-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide (PubChem CID 104555934) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide
PubChem CID104555934
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC NameN-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide
SMILESCC(CCl)N(C)C(=O)C1CCC1
InChIInChI=1S/C9H16ClNO/c1-7(6-10)11(2)9(12)8-4-3-5-8/h7-8H,3-6H2,1-2H3
InChIKeyLQLVRDYRYSRMJW-UHFFFAOYSA-N
XLogP1.87
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-chloropropan-2-yl)-N-methylcyclooctanecarboxamide
CID 104555564
N-(1-chloropropan-2-yl)-4,4-difluoro-N-methylcyclohexane-1-carboxamide
CID 104555904
N-(1-aminopropan-2-yl)-N-methylcyclobutanecarboxamide
CID 82503227
N-(1-chloropropan-2-yl)-N,2-dimethylcyclopentane-1-carboxamide
CID 107184308
N-butan-2-yl-N-methylcyclohexanecarboxamide
CID 153425265
N-(1-hydroxypropan-2-yl)-N-methylcyclooctanecarboxamide
CID 115869363
N-(1-hydroxypropan-2-yl)-N-methylcyclopropanecarboxamide
CID 115765115
N-(1-chloropropan-2-yl)-N-methyl-1,1-dioxothiane-2-carboxamide
CID 104555649
N-(1-chloropropan-2-yl)-N-methylbicyclo[2.2.1]heptane-2-carboxamide
CID 104555749
N-(1-chloropropan-2-yl)-N,2,2,3,3-pentamethylcyclopropane-1-carboxamide
CID 104555692
N-(1-methoxypropan-2-yl)-N-methylcyclopropanecarboxamide
CID 60794013
N-(4-amino-4-hydroxyiminobutan-2-yl)-N-methylcyclopentanecarboxamide
CID 76987598

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide?
The IUPAC name of N-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide (CID 104555934) is N-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide is CC(CCl)N(C)C(=O)C1CCC1.
What is the InChIKey of N-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide?
The InChIKey is LQLVRDYRYSRMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-7(6-10)11(2)9(12)8-4-3-5-8/h7-8H,3-6H2,1-2H3.
What are the key properties of N-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide?
N-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide has a molecular weight of 189.69 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-N-methylcyclobutanecarboxamide is sourced from PubChem (CID 104555934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).