N-(2-bromopropyl)bicyclo[4.1.0]heptane-7-carboxamide

C11H18BrNO — CID 114308612

IUPACN-(2-bromopropyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC(Br)CNC(=O)C1C2CCCCC21
InChIInChI=1S/C11H18BrNO/c1-7(12)6-13-11(14)10-8-4-2-3-5-9(8)10/h7-10H,2-6H2,1H3,(H,13,14)
InChIKeyJVLHHJUXKFDVGW-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.32
Rot. Bonds3

About N-(2-bromopropyl)bicyclo[4.1.0]heptane-7-carboxamide

N-(2-bromopropyl)bicyclo[4.1.0]heptane-7-carboxamide (PubChem CID 114308612) has the molecular formula C11H18BrNO and a molecular weight of 260.17 g/mol. Its IUPAC name is N-(2-bromopropyl)bicyclo[4.1.0]heptane-7-carboxamide.

Molecular Properties

Compound NameN-(2-bromopropyl)bicyclo[4.1.0]heptane-7-carboxamide
PubChem CID114308612
Molecular FormulaC11H18BrNO
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC NameN-(2-bromopropyl)bicyclo[4.1.0]heptane-7-carboxamide
SMILESCC(Br)CNC(=O)C1C2CCCCC21
InChIInChI=1S/C11H18BrNO/c1-7(12)6-13-11(14)10-8-4-2-3-5-9(8)10/h7-10H,2-6H2,1H3,(H,13,14)
InChIKeyJVLHHJUXKFDVGW-UHFFFAOYSA-N
XLogP2.32
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
LogP ≤ 52.32
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-bromo-4,4-dimethylpentyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 107156438
N-(2-bromopropyl)cyclopropanecarboxamide
CID 114308592
(1S,6S)-N-ethylbicyclo[4.1.0]heptane-7-carboxamide
CID 124567047
N-(2-chloro-3-methoxypropyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 114298715
N-[(2R)-2-(ethylamino)propyl]bicyclo[3.1.0]hexane-6-carboxamide;hydrochloride
CID 120653330
N-(3-hydroxy-4-methylpentyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 111540255
N-ethylbicyclo[3.1.0]hexane-6-carboxamide
CID 79600194
N-prop-2-ynylbicyclo[4.1.0]heptane-7-carboxamide
CID 79139027
N-[2-(methylamino)ethyl]bicyclo[4.1.0]heptane-7-carboxamide
CID 81478899
N-(2-bromopropyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 114308880
N-(2-aminoethyl)bicyclo[4.1.0]heptane-7-carboxamide
CID 81459042
N-[(2R)-1-aminopropan-2-yl]bicyclo[4.1.0]heptane-7-carboxamide
CID 104872968

Frequently Asked Questions

What is the IUPAC name of N-(2-bromopropyl)bicyclo[4.1.0]heptane-7-carboxamide?
The IUPAC name of N-(2-bromopropyl)bicyclo[4.1.0]heptane-7-carboxamide (CID 114308612) is N-(2-bromopropyl)bicyclo[4.1.0]heptane-7-carboxamide.
What is the SMILES notation for N-(2-bromopropyl)bicyclo[4.1.0]heptane-7-carboxamide?
The canonical SMILES for N-(2-bromopropyl)bicyclo[4.1.0]heptane-7-carboxamide is CC(Br)CNC(=O)C1C2CCCCC21.
What is the InChIKey of N-(2-bromopropyl)bicyclo[4.1.0]heptane-7-carboxamide?
The InChIKey is JVLHHJUXKFDVGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO/c1-7(12)6-13-11(14)10-8-4-2-3-5-9(8)10/h7-10H,2-6H2,1H3,(H,13,14).
What are the key properties of N-(2-bromopropyl)bicyclo[4.1.0]heptane-7-carboxamide?
N-(2-bromopropyl)bicyclo[4.1.0]heptane-7-carboxamide has a molecular weight of 260.17 g/mol, XLogP of 2.32, 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[4.1.0]heptane-7-carboxamide is sourced from PubChem (CID 114308612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).