N-(2-bromopropyl)bicyclo[3.1.0]hexane-3-carboxamide

C10H16BrNO — CID 114308880

IUPACN-(2-bromopropyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(Br)CNC(=O)C1CC2CC2C1
InChIInChI=1S/C10H16BrNO/c1-6(11)5-12-10(13)9-3-7-2-8(7)4-9/h6-9H,2-5H2,1H3,(H,12,13)
InChIKeySSMAJUZTSSIETD-UHFFFAOYSA-N
MW246.15 g/mol
LogP1.93
Rot. Bonds3

About N-(2-bromopropyl)bicyclo[3.1.0]hexane-3-carboxamide

N-(2-bromopropyl)bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 114308880) has the molecular formula C10H16BrNO and a molecular weight of 246.15 g/mol. Its IUPAC name is N-(2-bromopropyl)bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(2-bromopropyl)bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID114308880
Molecular FormulaC10H16BrNO
Molecular Weight246.15 g/mol
Exact Mass245.04
IUPAC NameN-(2-bromopropyl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESCC(Br)CNC(=O)C1CC2CC2C1
InChIInChI=1S/C10H16BrNO/c1-6(11)5-12-10(13)9-3-7-2-8(7)4-9/h6-9H,2-5H2,1H3,(H,12,13)
InChIKeySSMAJUZTSSIETD-UHFFFAOYSA-N
XLogP1.93
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 ≤ 51.93
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-(2-bromopropyl)cyclopropanecarboxamide
CID 114308592
N-(4-chloropentyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106129275
N-(2-bromopropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 114308612
N-(2-bromo-4-methylpentyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene-2-carboxamide
CID 107157845
N-[[1-(bromomethyl)cyclopropyl]methyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 115456224
N-(2-hydroxypropyl)cyclopropanecarboxamide
CID 43392750
N-(4-hydroxybutyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 106843014
4-tert-butyl-N-(3-chloro-2-methylpropyl)cyclohexane-1-carboxamide
CID 114302699
2-[(bicyclo[3.1.0]hexane-3-carbonylamino)methyl]-2-ethylbutanoic acid
CID 113308504
N-[2-ethyl-2-(hydroxymethyl)butyl]bicyclo[3.1.0]hexane-3-carboxamide
CID 106251975
N-(2-bromopropyl)propanamide
CID 87559070
N-(1-bromo-2-methylpropan-2-yl)bicyclo[3.1.0]hexane-3-carboxamide
CID 114308166

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(2-bromopropyl)bicyclo[3.1.0]hexane-3-carboxamide (CID 114308880) is N-(2-bromopropyl)bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(2-bromopropyl)bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(2-bromopropyl)bicyclo[3.1.0]hexane-3-carboxamide is CC(Br)CNC(=O)C1CC2CC2C1.
What is the InChIKey of N-(2-bromopropyl)bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is SSMAJUZTSSIETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO/c1-6(11)5-12-10(13)9-3-7-2-8(7)4-9/h6-9H,2-5H2,1H3,(H,12,13).
What are the key properties of N-(2-bromopropyl)bicyclo[3.1.0]hexane-3-carboxamide?
N-(2-bromopropyl)bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 246.15 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromopropyl)bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 114308880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).