N-[(3-bromocyclopentyl)methyl]-5-methyloxolane-2-carboxamide

C12H20BrNO2 — CID 106128505

IUPACN-[(3-bromocyclopentyl)methyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NCC2CCC(Br)C2)O1
InChIInChI=1S/C12H20BrNO2/c1-8-2-5-11(16-8)12(15)14-7-9-3-4-10(13)6-9/h8-11H,2-7H2,1H3,(H,14,15)
InChIKeyOXLIEXHCLOGPJC-UHFFFAOYSA-N
MW290.20 g/mol
LogP2.23
Rot. Bonds3

About N-[(3-bromocyclopentyl)methyl]-5-methyloxolane-2-carboxamide

N-[(3-bromocyclopentyl)methyl]-5-methyloxolane-2-carboxamide (PubChem CID 106128505) has the molecular formula C12H20BrNO2 and a molecular weight of 290.20 g/mol. Its IUPAC name is N-[(3-bromocyclopentyl)methyl]-5-methyloxolane-2-carboxamide.

Molecular Properties

Compound NameN-[(3-bromocyclopentyl)methyl]-5-methyloxolane-2-carboxamide
PubChem CID106128505
Molecular FormulaC12H20BrNO2
Molecular Weight290.20 g/mol
Exact Mass289.07
IUPAC NameN-[(3-bromocyclopentyl)methyl]-5-methyloxolane-2-carboxamide
SMILESCC1CCC(C(=O)NCC2CCC(Br)C2)O1
InChIInChI=1S/C12H20BrNO2/c1-8-2-5-11(16-8)12(15)14-7-9-3-4-10(13)6-9/h8-11H,2-7H2,1H3,(H,14,15)
InChIKeyOXLIEXHCLOGPJC-UHFFFAOYSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.20
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-bromocyclohexyl)methyl]-5-methyloxolane-2-carboxamide
CID 114312330
N-[(3-bromocyclopentyl)methyl]cycloheptanecarboxamide
CID 106128574
N-[(3-bromocyclopentyl)methyl]-4-methylpentanamide
CID 106128914
(2R,5S)-5-(cyclopropylmethylcarbamoyl)oxolane-2-carboxylic acid
CID 102944290
N-[(3-bromocyclopentyl)methyl]-2-cyclopentylacetamide
CID 106128972
N-[(3-bromocyclopentyl)methyl]-2,2-dimethylcyclopentane-1-carboxamide
CID 106128288
5-methyl-N-[(3-methylpiperidin-4-yl)methyl]oxolane-2-carboxamide
CID 114699971
N-(3,3-dimethyl-2-oxobutyl)-5-methyloxolane-2-carboxamide
CID 81330656
5-methyl-N-(3-methyl-2-oxobutyl)oxolane-2-carboxamide
CID 81330974
N-(2-ethyl-2-hydroxybutyl)-5-methyloxolane-2-carboxamide
CID 81002733
N-[(3-bromocyclopentyl)methyl]-4-(trifluoromethyl)cyclohexane-1-carboxamide
CID 106127906
5-methyl-N-[(1R,2R)-2-methylcyclopropyl]oxolane-2-carboxamide
CID 130671537

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromocyclopentyl)methyl]-5-methyloxolane-2-carboxamide?
The IUPAC name of N-[(3-bromocyclopentyl)methyl]-5-methyloxolane-2-carboxamide (CID 106128505) is N-[(3-bromocyclopentyl)methyl]-5-methyloxolane-2-carboxamide.
What is the SMILES notation for N-[(3-bromocyclopentyl)methyl]-5-methyloxolane-2-carboxamide?
The canonical SMILES for N-[(3-bromocyclopentyl)methyl]-5-methyloxolane-2-carboxamide is CC1CCC(C(=O)NCC2CCC(Br)C2)O1.
What is the InChIKey of N-[(3-bromocyclopentyl)methyl]-5-methyloxolane-2-carboxamide?
The InChIKey is OXLIEXHCLOGPJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20BrNO2/c1-8-2-5-11(16-8)12(15)14-7-9-3-4-10(13)6-9/h8-11H,2-7H2,1H3,(H,14,15).
What are the key properties of N-[(3-bromocyclopentyl)methyl]-5-methyloxolane-2-carboxamide?
N-[(3-bromocyclopentyl)methyl]-5-methyloxolane-2-carboxamide has a molecular weight of 290.20 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromocyclopentyl)methyl]-5-methyloxolane-2-carboxamide is sourced from PubChem (CID 106128505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).