2-bromo-N-spiro[3.4]octan-3-ylpropanamide

C11H18BrNO — CID 164649977

IUPAC2-bromo-N-spiro[3.4]octan-3-ylpropanamide
SMILESCC(Br)C(=O)NC1CCC12CCCC2
InChIInChI=1S/C11H18BrNO/c1-8(12)10(14)13-9-4-7-11(9)5-2-3-6-11/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyZJRNXBISLXCPSB-UHFFFAOYSA-N
MW260.17 g/mol
LogP2.61
Rot. Bonds2

About 2-bromo-N-spiro[3.4]octan-3-ylpropanamide

2-bromo-N-spiro[3.4]octan-3-ylpropanamide (PubChem CID 164649977) has the molecular formula C11H18BrNO and a molecular weight of 260.17 g/mol. Its IUPAC name is 2-bromo-N-spiro[3.4]octan-3-ylpropanamide.

Molecular Properties

Compound Name2-bromo-N-spiro[3.4]octan-3-ylpropanamide
PubChem CID164649977
Molecular FormulaC11H18BrNO
Molecular Weight260.17 g/mol
Exact Mass259.06
IUPAC Name2-bromo-N-spiro[3.4]octan-3-ylpropanamide
SMILESCC(Br)C(=O)NC1CCC12CCCC2
InChIInChI=1S/C11H18BrNO/c1-8(12)10(14)13-9-4-7-11(9)5-2-3-6-11/h8-9H,2-7H2,1H3,(H,13,14)
InChIKeyZJRNXBISLXCPSB-UHFFFAOYSA-N
XLogP2.61
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.17
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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Related Compounds

2-bromo-N-(2,2-dimethylthietan-3-yl)propanamide
CID 131010692
N-(2-methoxyethyl)-2-(spiro[3.5]nonan-3-ylamino)propanamide
CID 102952314
N-(2-methylpropyl)spiro[3.4]octan-3-amine
CID 131207014
(2S)-2-(spiro[3.4]octan-3-ylamino)propan-1-ol
CID 131107125
2-bromo-N-(1-cyanocycloheptyl)propanamide
CID 107903353
N-(1-cyclopropylethyl)spiro[3.4]octan-3-amine
CID 130611164
N-methylspiro[3.5]nonan-3-amine
CID 102951104
N-(2-hydroxy-2-methylcyclohexyl)-2-methylpropanamide
CID 137457356
1-[[(2S)-2-bromopropanoyl]amino]cyclopentane-1-carboxylic acid
CID 59902421
4-(spiro[3.5]nonan-3-ylamino)butan-2-ol
CID 102951974
3-methyl-1-(spiro[3.5]nonan-3-ylamino)butan-2-ol
CID 102952410
(2S)-1-N-spiro[3.4]octan-3-ylpropane-1,2-diamine
CID 164658810

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-spiro[3.4]octan-3-ylpropanamide?
The IUPAC name of 2-bromo-N-spiro[3.4]octan-3-ylpropanamide (CID 164649977) is 2-bromo-N-spiro[3.4]octan-3-ylpropanamide.
What is the SMILES notation for 2-bromo-N-spiro[3.4]octan-3-ylpropanamide?
The canonical SMILES for 2-bromo-N-spiro[3.4]octan-3-ylpropanamide is CC(Br)C(=O)NC1CCC12CCCC2.
What is the InChIKey of 2-bromo-N-spiro[3.4]octan-3-ylpropanamide?
The InChIKey is ZJRNXBISLXCPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO/c1-8(12)10(14)13-9-4-7-11(9)5-2-3-6-11/h8-9H,2-7H2,1H3,(H,13,14).
What are the key properties of 2-bromo-N-spiro[3.4]octan-3-ylpropanamide?
2-bromo-N-spiro[3.4]octan-3-ylpropanamide has a molecular weight of 260.17 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-spiro[3.4]octan-3-ylpropanamide is sourced from PubChem (CID 164649977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).