2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide

C9H12FNO2 — CID 145399724

IUPAC2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide
SMILESO=C(NCCCO)C1=C(F)CC=C1
InChIInChI=1S/C9H12FNO2/c10-8-4-1-3-7(8)9(13)11-5-2-6-12/h1,3,12H,2,4-6H2,(H,11,13)
InChIKeyOWYXVWFQECSQGQ-UHFFFAOYSA-N
MW185.20 g/mol
LogP0.67
Rot. Bonds4

About 2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide

2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide (PubChem CID 145399724) has the molecular formula C9H12FNO2 and a molecular weight of 185.20 g/mol. Its IUPAC name is 2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide.

Molecular Properties

Compound Name2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide
PubChem CID145399724
Molecular FormulaC9H12FNO2
Molecular Weight185.20 g/mol
Exact Mass185.09
IUPAC Name2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide
SMILESO=C(NCCCO)C1=C(F)CC=C1
InChIInChI=1S/C9H12FNO2/c10-8-4-1-3-7(8)9(13)11-5-2-6-12/h1,3,12H,2,4-6H2,(H,11,13)
InChIKeyOWYXVWFQECSQGQ-UHFFFAOYSA-N
XLogP0.67
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.20
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-3-[(Z)-3-fluoroprop-1-enyl]-1,2-dihydropyrrol-5-one
CID 89344172
2,3,3,5-tetrafluoro-N-(3-hydroxypropyl)cyclohexa-1,5-diene-1-carboxamide
CID 151417681
5-fluoro-N-(2-hydroxyethyl)cyclohepta-1,4,6-triene-1-carboxamide
CID 167046647
(3Z,5E)-5-fluoro-N-(2-hydroxyethyl)-2-methylideneocta-3,5-dienamide
CID 167046842
(Z)-N-(2,2-difluoro-3-hydroxypropyl)-2-methylpent-2-enamide
CID 104857267
N-(2,2-difluoro-3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide
CID 104857618
N-(3-hydroxypropyl)-6-oxo-1H-pyridine-3-carboxamide
CID 43417829
N-(3-hydroxypropyl)-2-methylpent-2-enamide
CID 74876271
(2E,3E,6Z,8Z)-2-ethylidene-N-(3-hydroxy-2-methylpropyl)-4,7-dimethyl-5-methylideneundeca-3,6,8,10-tetraenamide
CID 137504026
ethane;N-[(Z,2E)-2-ethylidenepent-3-enyl]-3-hydroxy-2-methylpropanamide
CID 144281346
ethane;2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide;molecular hydrogen
CID 145399723
N-(2-hydroxyethyl)cyclohepta-1,4,6-triene-1-carboxamide
CID 167046616

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide?
The IUPAC name of 2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide (CID 145399724) is 2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide.
What is the SMILES notation for 2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide?
The canonical SMILES for 2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide is O=C(NCCCO)C1=C(F)CC=C1.
What is the InChIKey of 2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide?
The InChIKey is OWYXVWFQECSQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO2/c10-8-4-1-3-7(8)9(13)11-5-2-6-12/h1,3,12H,2,4-6H2,(H,11,13).
What are the key properties of 2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide?
2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide has a molecular weight of 185.20 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-(3-hydroxypropyl)cyclopenta-1,4-diene-1-carboxamide is sourced from PubChem (CID 145399724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).