N-[5-(hydroxymethyl)heptyl]cyclopenta-1,4-diene-1-carboxamide

C14H23NO2 — CID 71018014

IUPACN-[5-(hydroxymethyl)heptyl]cyclopenta-1,4-diene-1-carboxamide
SMILESCCC(CO)CCCCNC(=O)C1=CCC=C1
InChIInChI=1S/C14H23NO2/c1-2-12(11-16)7-5-6-10-15-14(17)13-8-3-4-9-13/h3,8-9,12,16H,2,4-7,10-11H2,1H3,(H,15,17)
InChIKeyQDKNWFBSVPPQHB-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.18
Rot. Bonds8

About N-[5-(hydroxymethyl)heptyl]cyclopenta-1,4-diene-1-carboxamide

N-[5-(hydroxymethyl)heptyl]cyclopenta-1,4-diene-1-carboxamide (PubChem CID 71018014) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is N-[5-(hydroxymethyl)heptyl]cyclopenta-1,4-diene-1-carboxamide.

Molecular Properties

Compound NameN-[5-(hydroxymethyl)heptyl]cyclopenta-1,4-diene-1-carboxamide
PubChem CID71018014
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC NameN-[5-(hydroxymethyl)heptyl]cyclopenta-1,4-diene-1-carboxamide
SMILESCCC(CO)CCCCNC(=O)C1=CCC=C1
InChIInChI=1S/C14H23NO2/c1-2-12(11-16)7-5-6-10-15-14(17)13-8-3-4-9-13/h3,8-9,12,16H,2,4-7,10-11H2,1H3,(H,15,17)
InChIKeyQDKNWFBSVPPQHB-UHFFFAOYSA-N
XLogP2.18
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.18
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-[5-(hydroxymethyl)heptyl]cyclopenta-1,4-diene-1-carboxamide?
The IUPAC name of N-[5-(hydroxymethyl)heptyl]cyclopenta-1,4-diene-1-carboxamide (CID 71018014) is N-[5-(hydroxymethyl)heptyl]cyclopenta-1,4-diene-1-carboxamide.
What is the SMILES notation for N-[5-(hydroxymethyl)heptyl]cyclopenta-1,4-diene-1-carboxamide?
The canonical SMILES for N-[5-(hydroxymethyl)heptyl]cyclopenta-1,4-diene-1-carboxamide is CCC(CO)CCCCNC(=O)C1=CCC=C1.
What is the InChIKey of N-[5-(hydroxymethyl)heptyl]cyclopenta-1,4-diene-1-carboxamide?
The InChIKey is QDKNWFBSVPPQHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-2-12(11-16)7-5-6-10-15-14(17)13-8-3-4-9-13/h3,8-9,12,16H,2,4-7,10-11H2,1H3,(H,15,17).
What are the key properties of N-[5-(hydroxymethyl)heptyl]cyclopenta-1,4-diene-1-carboxamide?
N-[5-(hydroxymethyl)heptyl]cyclopenta-1,4-diene-1-carboxamide has a molecular weight of 237.34 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(hydroxymethyl)heptyl]cyclopenta-1,4-diene-1-carboxamide is sourced from PubChem (CID 71018014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).