N-(6-hydroxyhexyl)cyclopenta-1,3-diene-1-carboxamide

C12H19NO2 — CID 102277327

IUPACN-(6-hydroxyhexyl)cyclopenta-1,3-diene-1-carboxamide
SMILESO=C(NCCCCCCO)C1=CC=CC1
InChIInChI=1S/C12H19NO2/c14-10-6-2-1-5-9-13-12(15)11-7-3-4-8-11/h3-4,7,14H,1-2,5-6,8-10H2,(H,13,15)
InChIKeyKONVSLDXNUWRJA-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.54
Rot. Bonds7

About N-(6-hydroxyhexyl)cyclopenta-1,3-diene-1-carboxamide

N-(6-hydroxyhexyl)cyclopenta-1,3-diene-1-carboxamide (PubChem CID 102277327) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-(6-hydroxyhexyl)cyclopenta-1,3-diene-1-carboxamide.

Molecular Properties

Compound NameN-(6-hydroxyhexyl)cyclopenta-1,3-diene-1-carboxamide
PubChem CID102277327
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-(6-hydroxyhexyl)cyclopenta-1,3-diene-1-carboxamide
SMILESO=C(NCCCCCCO)C1=CC=CC1
InChIInChI=1S/C12H19NO2/c14-10-6-2-1-5-9-13-12(15)11-7-3-4-8-11/h3-4,7,14H,1-2,5-6,8-10H2,(H,13,15)
InChIKeyKONVSLDXNUWRJA-UHFFFAOYSA-N
XLogP1.54
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.54
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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Frequently Asked Questions

What is the IUPAC name of N-(6-hydroxyhexyl)cyclopenta-1,3-diene-1-carboxamide?
The IUPAC name of N-(6-hydroxyhexyl)cyclopenta-1,3-diene-1-carboxamide (CID 102277327) is N-(6-hydroxyhexyl)cyclopenta-1,3-diene-1-carboxamide.
What is the SMILES notation for N-(6-hydroxyhexyl)cyclopenta-1,3-diene-1-carboxamide?
The canonical SMILES for N-(6-hydroxyhexyl)cyclopenta-1,3-diene-1-carboxamide is O=C(NCCCCCCO)C1=CC=CC1.
What is the InChIKey of N-(6-hydroxyhexyl)cyclopenta-1,3-diene-1-carboxamide?
The InChIKey is KONVSLDXNUWRJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c14-10-6-2-1-5-9-13-12(15)11-7-3-4-8-11/h3-4,7,14H,1-2,5-6,8-10H2,(H,13,15).
What are the key properties of N-(6-hydroxyhexyl)cyclopenta-1,3-diene-1-carboxamide?
N-(6-hydroxyhexyl)cyclopenta-1,3-diene-1-carboxamide has a molecular weight of 209.29 g/mol, XLogP of 1.54, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-hydroxyhexyl)cyclopenta-1,3-diene-1-carboxamide is sourced from PubChem (CID 102277327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).