1-[(2R)-azetidin-2-yl]-2-methyl-2-pentylnonan-1-one

C18H35NO — CID 134243331

IUPAC1-[(2R)-azetidin-2-yl]-2-methyl-2-pentylnonan-1-one
SMILESCCCCCCCC(C)(CCCCC)C(=O)[C@H]1CCN1
InChIInChI=1S/C18H35NO/c1-4-6-8-9-11-14-18(3,13-10-7-5-2)17(20)16-12-15-19-16/h16,19H,4-15H2,1-3H3/t16-,18?/m1/s1
InChIKeySWVDGDYEYYJUBJ-PYUWXLGESA-N
MW281.48 g/mol
LogP4.86
Rot. Bonds12

About 1-[(2R)-azetidin-2-yl]-2-methyl-2-pentylnonan-1-one

1-[(2R)-azetidin-2-yl]-2-methyl-2-pentylnonan-1-one (PubChem CID 134243331) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 1-[(2R)-azetidin-2-yl]-2-methyl-2-pentylnonan-1-one.

Molecular Properties

Compound Name1-[(2R)-azetidin-2-yl]-2-methyl-2-pentylnonan-1-one
PubChem CID134243331
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name1-[(2R)-azetidin-2-yl]-2-methyl-2-pentylnonan-1-one
SMILESCCCCCCCC(C)(CCCCC)C(=O)[C@H]1CCN1
InChIInChI=1S/C18H35NO/c1-4-6-8-9-11-14-18(3,13-10-7-5-2)17(20)16-12-15-19-16/h16,19H,4-15H2,1-3H3/t16-,18?/m1/s1
InChIKeySWVDGDYEYYJUBJ-PYUWXLGESA-N
XLogP4.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[(2R)-azetidin-2-yl]-2,2-dimethylbutan-1-one
CID 166686766
2-decyl-2-methyltetradecanoic acid
CID 611890
2-decyl-2-methylicosanoic acid
CID 174997379
2-hexyl-2-methyldecanoic acid
CID 86051716
(2S)-2-hexyl-2-methyldecanethioic S-acid
CID 54063202
2-hexyl-2-methylpentadecanoate
CID 57350898
11,15-didecyl-11,15-dimethylpentacosane-12,14-dione
CID 151089135
2-piperidin-4-ylpropan-2-yl heptanoate
CID 155075502
1-[(2S)-pyrrolidin-2-yl]heptadecan-1-one
CID 90355847
(3S)-3-ethyl-3-methylnonan-2-one
CID 177059310
(2S,4R)-4-hexylpiperidine-2-carboxamide
CID 142863438
2-(8-fluorooctyl)-2-methylpentadecanoic acid
CID 175368880

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-azetidin-2-yl]-2-methyl-2-pentylnonan-1-one?
The IUPAC name of 1-[(2R)-azetidin-2-yl]-2-methyl-2-pentylnonan-1-one (CID 134243331) is 1-[(2R)-azetidin-2-yl]-2-methyl-2-pentylnonan-1-one.
What is the SMILES notation for 1-[(2R)-azetidin-2-yl]-2-methyl-2-pentylnonan-1-one?
The canonical SMILES for 1-[(2R)-azetidin-2-yl]-2-methyl-2-pentylnonan-1-one is CCCCCCCC(C)(CCCCC)C(=O)[C@H]1CCN1.
What is the InChIKey of 1-[(2R)-azetidin-2-yl]-2-methyl-2-pentylnonan-1-one?
The InChIKey is SWVDGDYEYYJUBJ-PYUWXLGESA-N. The full InChI is InChI=1S/C18H35NO/c1-4-6-8-9-11-14-18(3,13-10-7-5-2)17(20)16-12-15-19-16/h16,19H,4-15H2,1-3H3/t16-,18?/m1/s1.
What are the key properties of 1-[(2R)-azetidin-2-yl]-2-methyl-2-pentylnonan-1-one?
1-[(2R)-azetidin-2-yl]-2-methyl-2-pentylnonan-1-one has a molecular weight of 281.48 g/mol, XLogP of 4.86, 12 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-azetidin-2-yl]-2-methyl-2-pentylnonan-1-one is sourced from PubChem (CID 134243331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).