N-(4-butylcyclohexa-1,5-dien-1-yl)formamide

C11H17NO — CID 89074062

IUPACN-(4-butylcyclohexa-1,5-dien-1-yl)formamide
SMILESCCCCC1C=CC(NC=O)=CC1
InChIInChI=1S/C11H17NO/c1-2-3-4-10-5-7-11(8-6-10)12-9-13/h5,7-10H,2-4,6H2,1H3,(H,12,13)
InChIKeyRERSLINNVSYTSW-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.38
Rot. Bonds5

About N-(4-butylcyclohexa-1,5-dien-1-yl)formamide

N-(4-butylcyclohexa-1,5-dien-1-yl)formamide (PubChem CID 89074062) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is N-(4-butylcyclohexa-1,5-dien-1-yl)formamide.

Molecular Properties

Compound NameN-(4-butylcyclohexa-1,5-dien-1-yl)formamide
PubChem CID89074062
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC NameN-(4-butylcyclohexa-1,5-dien-1-yl)formamide
SMILESCCCCC1C=CC(NC=O)=CC1
InChIInChI=1S/C11H17NO/c1-2-3-4-10-5-7-11(8-6-10)12-9-13/h5,7-10H,2-4,6H2,1H3,(H,12,13)
InChIKeyRERSLINNVSYTSW-UHFFFAOYSA-N
XLogP2.38
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-butylcyclohexa-1,5-dien-1-yl)formamide?
The IUPAC name of N-(4-butylcyclohexa-1,5-dien-1-yl)formamide (CID 89074062) is N-(4-butylcyclohexa-1,5-dien-1-yl)formamide.
What is the SMILES notation for N-(4-butylcyclohexa-1,5-dien-1-yl)formamide?
The canonical SMILES for N-(4-butylcyclohexa-1,5-dien-1-yl)formamide is CCCCC1C=CC(NC=O)=CC1.
What is the InChIKey of N-(4-butylcyclohexa-1,5-dien-1-yl)formamide?
The InChIKey is RERSLINNVSYTSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-3-4-10-5-7-11(8-6-10)12-9-13/h5,7-10H,2-4,6H2,1H3,(H,12,13).
What are the key properties of N-(4-butylcyclohexa-1,5-dien-1-yl)formamide?
N-(4-butylcyclohexa-1,5-dien-1-yl)formamide has a molecular weight of 179.26 g/mol, XLogP of 2.38, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-butylcyclohexa-1,5-dien-1-yl)formamide is sourced from PubChem (CID 89074062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).