N-(3-methoxypropyl)cyclohexa-1,5-diene-1-carboxamide

C11H17NO2 — CID 141158724

IUPACN-(3-methoxypropyl)cyclohexa-1,5-diene-1-carboxamide
SMILESCOCCCNC(=O)C1=CCCC=C1
InChIInChI=1S/C11H17NO2/c1-14-9-5-8-12-11(13)10-6-3-2-4-7-10/h3,6-7H,2,4-5,8-9H2,1H3,(H,12,13)
InChIKeyCCHYSCGNLXZKME-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.42
Rot. Bonds5

About N-(3-methoxypropyl)cyclohexa-1,5-diene-1-carboxamide

N-(3-methoxypropyl)cyclohexa-1,5-diene-1-carboxamide (PubChem CID 141158724) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is N-(3-methoxypropyl)cyclohexa-1,5-diene-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)cyclohexa-1,5-diene-1-carboxamide
PubChem CID141158724
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC NameN-(3-methoxypropyl)cyclohexa-1,5-diene-1-carboxamide
SMILESCOCCCNC(=O)C1=CCCC=C1
InChIInChI=1S/C11H17NO2/c1-14-9-5-8-12-11(13)10-6-3-2-4-7-10/h3,6-7H,2,4-5,8-9H2,1H3,(H,12,13)
InChIKeyCCHYSCGNLXZKME-UHFFFAOYSA-N
XLogP1.42
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.42
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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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)cyclohexa-1,5-diene-1-carboxamide?
The IUPAC name of N-(3-methoxypropyl)cyclohexa-1,5-diene-1-carboxamide (CID 141158724) is N-(3-methoxypropyl)cyclohexa-1,5-diene-1-carboxamide.
What is the SMILES notation for N-(3-methoxypropyl)cyclohexa-1,5-diene-1-carboxamide?
The canonical SMILES for N-(3-methoxypropyl)cyclohexa-1,5-diene-1-carboxamide is COCCCNC(=O)C1=CCCC=C1.
What is the InChIKey of N-(3-methoxypropyl)cyclohexa-1,5-diene-1-carboxamide?
The InChIKey is CCHYSCGNLXZKME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-14-9-5-8-12-11(13)10-6-3-2-4-7-10/h3,6-7H,2,4-5,8-9H2,1H3,(H,12,13).
What are the key properties of N-(3-methoxypropyl)cyclohexa-1,5-diene-1-carboxamide?
N-(3-methoxypropyl)cyclohexa-1,5-diene-1-carboxamide has a molecular weight of 195.26 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)cyclohexa-1,5-diene-1-carboxamide is sourced from PubChem (CID 141158724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).