N-[1-(bromomethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide

C10H16BrNO — CID 107003340

IUPACN-[1-(bromomethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NC1(CBr)CC1
InChIInChI=1S/C10H16BrNO/c1-9(2)5-7(9)8(13)12-10(6-11)3-4-10/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyFAECOUXTKNBFRX-UHFFFAOYSA-N
MW246.15 g/mol
LogP2.08
Rot. Bonds3

About N-[1-(bromomethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide

N-[1-(bromomethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide (PubChem CID 107003340) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is N-[1-(bromomethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[1-(bromomethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide
PubChem CID107003340
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC NameN-[1-(bromomethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide
SMILESCC1(C)CC1C(=O)NC1(CBr)CC1
InChIInChI=1S/C10H16BrNO/c1-9(2)5-7(9)8(13)12-10(6-11)3-4-10/h7H,3-6H2,1-2H3,(H,12,13)
InChIKeyFAECOUXTKNBFRX-UHFFFAOYSA-N
XLogP2.08
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.15
LogP ≤ 52.08
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-(hydroxymethyl)cyclobutyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 103881165
N-[1-(aminomethyl)cyclohexyl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107003388
N-[4-(bromomethyl)oxan-4-yl]-2,2-dimethylcyclopentane-1-carboxamide
CID 106300972
1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclopentane-1-carboxylic acid
CID 106703092
1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclobutane-1-carboxylic acid
CID 106703650
1-[(2,2-dimethylcyclopropanecarbonyl)amino]cyclohexane-1-carboxylic acid
CID 106703045
1-[[(1S)-2,2-dimethylcyclopropanecarbonyl]amino]cyclohexane-1-carboxylic acid
CID 120666263
N'-(2,2-difluorocyclopropanecarbonyl)-2,2-dimethylcyclopropane-1-carbohydrazide
CID 90937535
N-[1-(bromomethyl)cyclopentyl]-1-methylcyclopentane-1-carboxamide
CID 114311375
N-[1-(bromomethyl)cyclobutyl]-1-methylcyclopropane-1-carboxamide
CID 126981194
N-[4-(bromomethyl)oxan-4-yl]-4-methylcyclohexane-1-carboxamide
CID 114171042
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,2-dimethylcyclopropane-1-carboxamide
CID 107846961

Frequently Asked Questions

What is the IUPAC name of N-[1-(bromomethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-[1-(bromomethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide (CID 107003340) is N-[1-(bromomethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-[1-(bromomethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-[1-(bromomethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide is CC1(C)CC1C(=O)NC1(CBr)CC1.
What is the InChIKey of N-[1-(bromomethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is FAECOUXTKNBFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO/c1-9(2)5-7(9)8(13)12-10(6-11)3-4-10/h7H,3-6H2,1-2H3,(H,12,13).
What are the key properties of N-[1-(bromomethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide?
N-[1-(bromomethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 246.15 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(bromomethyl)cyclopropyl]-2,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 107003340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).