1-bromo-N-tert-butylcyclopentane-1-carboxamide

C10H18BrNO — CID 4093617

IUPAC1-bromo-N-tert-butylcyclopentane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1(Br)CCCC1
InChIInChI=1S/C10H18BrNO/c1-9(2,3)12-8(13)10(11)6-4-5-7-10/h4-7H2,1-3H3,(H,12,13)
InChIKeyNIPLZIHEDZRKSY-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.61
Rot. Bonds1

About 1-bromo-N-tert-butylcyclopentane-1-carboxamide

1-bromo-N-tert-butylcyclopentane-1-carboxamide (PubChem CID 4093617) has the molecular formula C10H18BrNO and a molecular weight of 248.16 g/mol. Its IUPAC name is 1-bromo-N-tert-butylcyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-bromo-N-tert-butylcyclopentane-1-carboxamide
PubChem CID4093617
Molecular FormulaC10H18BrNO
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name1-bromo-N-tert-butylcyclopentane-1-carboxamide
SMILESCC(C)(C)NC(=O)C1(Br)CCCC1
InChIInChI=1S/C10H18BrNO/c1-9(2,3)12-8(13)10(11)6-4-5-7-10/h4-7H2,1-3H3,(H,12,13)
InChIKeyNIPLZIHEDZRKSY-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-tert-butylcyclopentane-1-carboxamide?
The IUPAC name of 1-bromo-N-tert-butylcyclopentane-1-carboxamide (CID 4093617) is 1-bromo-N-tert-butylcyclopentane-1-carboxamide.
What is the SMILES notation for 1-bromo-N-tert-butylcyclopentane-1-carboxamide?
The canonical SMILES for 1-bromo-N-tert-butylcyclopentane-1-carboxamide is CC(C)(C)NC(=O)C1(Br)CCCC1.
What is the InChIKey of 1-bromo-N-tert-butylcyclopentane-1-carboxamide?
The InChIKey is NIPLZIHEDZRKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO/c1-9(2,3)12-8(13)10(11)6-4-5-7-10/h4-7H2,1-3H3,(H,12,13).
What are the key properties of 1-bromo-N-tert-butylcyclopentane-1-carboxamide?
1-bromo-N-tert-butylcyclopentane-1-carboxamide has a molecular weight of 248.16 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-tert-butylcyclopentane-1-carboxamide is sourced from PubChem (CID 4093617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).