1-(1H-pyrrol-3-yl)decan-1-one

C14H23NO — CID 65448370

IUPAC1-(1H-pyrrol-3-yl)decan-1-one
SMILESCCCCCCCCCC(=O)c1cc[nH]c1
InChIInChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-9-14(16)13-10-11-15-12-13/h10-12,15H,2-9H2,1H3
InChIKeyDIYIYFCLTVEESG-UHFFFAOYSA-N
MW221.34 g/mol
LogP4.34
Rot. Bonds9

About 1-(1H-pyrrol-3-yl)decan-1-one

1-(1H-pyrrol-3-yl)decan-1-one (PubChem CID 65448370) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1-(1H-pyrrol-3-yl)decan-1-one.

Molecular Properties

Compound Name1-(1H-pyrrol-3-yl)decan-1-one
PubChem CID65448370
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1-(1H-pyrrol-3-yl)decan-1-one
SMILESCCCCCCCCCC(=O)c1cc[nH]c1
InChIInChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-9-14(16)13-10-11-15-12-13/h10-12,15H,2-9H2,1H3
InChIKeyDIYIYFCLTVEESG-UHFFFAOYSA-N
XLogP4.34
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-1-(1H-pyrrol-3-yl)hexan-1-one
CID 10610275
4-hydroxy-1-(1H-pyrrol-3-yl)butan-1-one
CID 82467827
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
N-dodecyl-1H-pyrrole-3-carboxamide
CID 175440908
1-[4-[2,3,4,5,6-pentakis(4-dodecanoylphenyl)phenyl]phenyl]dodecan-1-one
CID 101036132
1-[3,5-di(tetradecanoyl)phenyl]hexadecan-1-one
CID 15726207
1-[3,5-di(dodecanoyl)phenyl]tetradecan-1-one
CID 14160625
1-phenylheptadecan-1-one
CID 577626
[(Z)-1-(1H-pyrrol-3-yl)ethylideneamino] hexanoate
CID 136672589
1-(4-hydroxyphenyl)nonan-1-one
CID 170171737
1-[4-[4-(4-hexanoylphenyl)phenyl]phenyl]hexan-1-one
CID 4202714
1-(4-chlorophenyl)heptan-1-one
CID 12510889

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrrol-3-yl)decan-1-one?
The IUPAC name of 1-(1H-pyrrol-3-yl)decan-1-one (CID 65448370) is 1-(1H-pyrrol-3-yl)decan-1-one.
What is the SMILES notation for 1-(1H-pyrrol-3-yl)decan-1-one?
The canonical SMILES for 1-(1H-pyrrol-3-yl)decan-1-one is CCCCCCCCCC(=O)c1cc[nH]c1.
What is the InChIKey of 1-(1H-pyrrol-3-yl)decan-1-one?
The InChIKey is DIYIYFCLTVEESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-2-3-4-5-6-7-8-9-14(16)13-10-11-15-12-13/h10-12,15H,2-9H2,1H3.
What are the key properties of 1-(1H-pyrrol-3-yl)decan-1-one?
1-(1H-pyrrol-3-yl)decan-1-one has a molecular weight of 221.34 g/mol, XLogP of 4.34, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrrol-3-yl)decan-1-one is sourced from PubChem (CID 65448370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).