2-(azocan-2-yl)-1-cyclopropylpropan-1-one

C13H23NO — CID 130491233

IUPAC2-(azocan-2-yl)-1-cyclopropylpropan-1-one
SMILESCC(C(=O)C1CC1)C1CCCCCCN1
InChIInChI=1S/C13H23NO/c1-10(13(15)11-7-8-11)12-6-4-2-3-5-9-14-12/h10-12,14H,2-9H2,1H3
InChIKeyNAZVVGRCAWNALK-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.52
Rot. Bonds3

About 2-(azocan-2-yl)-1-cyclopropylpropan-1-one

2-(azocan-2-yl)-1-cyclopropylpropan-1-one (PubChem CID 130491233) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-(azocan-2-yl)-1-cyclopropylpropan-1-one.

Molecular Properties

Compound Name2-(azocan-2-yl)-1-cyclopropylpropan-1-one
PubChem CID130491233
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-(azocan-2-yl)-1-cyclopropylpropan-1-one
SMILESCC(C(=O)C1CC1)C1CCCCCCN1
InChIInChI=1S/C13H23NO/c1-10(13(15)11-7-8-11)12-6-4-2-3-5-9-14-12/h10-12,14H,2-9H2,1H3
InChIKeyNAZVVGRCAWNALK-UHFFFAOYSA-N
XLogP2.52
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-cyclobutyl-2-pyrrolidin-2-ylpropan-1-one
CID 127001769
(2S)-N-methyl-2-[(2S)-piperidin-2-yl]propanamide
CID 99980828
(2R)-2-propan-2-ylazepane
CID 7048221
(2S)-2-propan-2-ylpiperidine
CID 7022854
2-(1-piperidin-2-ylethyl)piperidine
CID 19900914
N-(1-piperidin-2-ylethyl)piperidine-1-carboxamide
CID 79155536
1-cyclobutyl-2-(6-methylpiperidin-2-yl)propan-1-one
CID 131111529
ethane;2-propan-2-ylpiperidine
CID 154671868
ethyl 2-pyrrolidin-2-ylpropanoate
CID 12896133
2-(1-fluoro-2-methylpropyl)azepane
CID 105435678
4-piperidin-2-ylpentanoic acid
CID 174627267
2-[(1R)-1-piperidin-2-ylethyl]sulfanylacetic acid
CID 70284229

Frequently Asked Questions

What is the IUPAC name of 2-(azocan-2-yl)-1-cyclopropylpropan-1-one?
The IUPAC name of 2-(azocan-2-yl)-1-cyclopropylpropan-1-one (CID 130491233) is 2-(azocan-2-yl)-1-cyclopropylpropan-1-one.
What is the SMILES notation for 2-(azocan-2-yl)-1-cyclopropylpropan-1-one?
The canonical SMILES for 2-(azocan-2-yl)-1-cyclopropylpropan-1-one is CC(C(=O)C1CC1)C1CCCCCCN1.
What is the InChIKey of 2-(azocan-2-yl)-1-cyclopropylpropan-1-one?
The InChIKey is NAZVVGRCAWNALK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-10(13(15)11-7-8-11)12-6-4-2-3-5-9-14-12/h10-12,14H,2-9H2,1H3.
What are the key properties of 2-(azocan-2-yl)-1-cyclopropylpropan-1-one?
2-(azocan-2-yl)-1-cyclopropylpropan-1-one has a molecular weight of 209.33 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azocan-2-yl)-1-cyclopropylpropan-1-one is sourced from PubChem (CID 130491233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).