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

N-(1-bromobutan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 114307790
N-(1-chlorobutan-2-yl)bicyclo[2.2.1]heptane-2-carboxamide
CID 114294540
2-(1-hydroxybutan-2-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 60942127
methyl (2S,3S)-3-methyl-2-[[(1R,2R)-2-methylcyclopropanecarbonyl]amino]pentanoate
CID 124824414
2-amino-5-methyl-N-pentan-3-ylcyclohexane-1-carboxamide
CID 65456041
trans-(1S,2S)-4-oxo-1-N,2-N-di(pentan-3-yl)cyclopentane-1,2-dicarboxamide
CID 96536972
2-amino-N-hexan-3-ylcyclopropane-1-carboxamide
CID 114995860
(2S)-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 61131550
(2R)-3-hydroxy-2-[(2-methylcyclopropanecarbonyl)amino]propanoic acid
CID 80747756
4-methyl-N-(1-methylsulfanylbutan-2-yl)pyrrolidine-3-carboxamide
CID 115977036
2-[[(2S)-1-hydroxybutan-2-yl]carbamoyl]cyclohexane-1-carboxylic acid
CID 107214907
trans-(1S,2S)-N-(1-amino-1-oxopropan-2-yl)-2-methylcyclopropane-1-carboxamide
CID 127011730

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).