N-(1-chlorobutan-2-yl)-2-methylcyclopropane-1-carboxamide

C9H16ClNO — CID 114294679

IUPACN-(1-chlorobutan-2-yl)-2-methylcyclopropane-1-carboxamide
SMILESCCC(CCl)NC(=O)C1CC1C
InChIInChI=1S/C9H16ClNO/c1-3-7(5-10)11-9(12)8-4-6(8)2/h6-8H,3-5H2,1-2H3,(H,11,12)
InChIKeyYSEFNJAKMCKTOH-UHFFFAOYSA-N
MW189.69 g/mol
LogP1.78
Rot. Bonds4

About N-(1-chlorobutan-2-yl)-2-methylcyclopropane-1-carboxamide

N-(1-chlorobutan-2-yl)-2-methylcyclopropane-1-carboxamide (PubChem CID 114294679) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is N-(1-chlorobutan-2-yl)-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-(1-chlorobutan-2-yl)-2-methylcyclopropane-1-carboxamide
PubChem CID114294679
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC NameN-(1-chlorobutan-2-yl)-2-methylcyclopropane-1-carboxamide
SMILESCCC(CCl)NC(=O)C1CC1C
InChIInChI=1S/C9H16ClNO/c1-3-7(5-10)11-9(12)8-4-6(8)2/h6-8H,3-5H2,1-2H3,(H,11,12)
InChIKeyYSEFNJAKMCKTOH-UHFFFAOYSA-N
XLogP1.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Valeramide, 5-chloro-N-butyl-
CID 28733165
Valeramide, 5-chloro-N-pentyl-
CID 28733263
Valeramide, 5-chloro-N-isobutyl-
CID 28733372
Valeramide, 5-chloro-N-(3-methylbutyl)-
CID 28733512
Valeramide, 5-chloro-N-(hept-2-yl)-
CID 43578895
N-(1-chloro-4-methylpentan-2-yl)-4,4,4-trifluorobutanamide
CID 114300923
N-(2-chlorocyclohexyl)-2-fluoro-1-methylcyclopropane-1-carboxamide
CID 131123605
3-chloro-N-(4-methylpentan-2-yl)propanamide
CID 240403
2-chloro-N-propylpentanamide
CID 13828407
5-chloro-N-propan-2-ylpentanamide
CID 28733237
5-chloro-N-propylpentanamide
CID 28733302
2,2-dichloro-1,3-dimethyl-N-pentan-2-ylcyclopropane-1-carboxamide
CID 59109316

Frequently Asked Questions

What is the IUPAC name of N-(1-chlorobutan-2-yl)-2-methylcyclopropane-1-carboxamide?
The IUPAC name of N-(1-chlorobutan-2-yl)-2-methylcyclopropane-1-carboxamide (CID 114294679) is N-(1-chlorobutan-2-yl)-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for N-(1-chlorobutan-2-yl)-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for N-(1-chlorobutan-2-yl)-2-methylcyclopropane-1-carboxamide is CCC(CCl)NC(=O)C1CC1C.
What is the InChIKey of N-(1-chlorobutan-2-yl)-2-methylcyclopropane-1-carboxamide?
The InChIKey is YSEFNJAKMCKTOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClNO/c1-3-7(5-10)11-9(12)8-4-6(8)2/h6-8H,3-5H2,1-2H3,(H,11,12).
What are the key properties of N-(1-chlorobutan-2-yl)-2-methylcyclopropane-1-carboxamide?
N-(1-chlorobutan-2-yl)-2-methylcyclopropane-1-carboxamide has a molecular weight of 189.69 g/mol, XLogP of 1.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chlorobutan-2-yl)-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 114294679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).