4-formyl-N-pentylcyclohexa-1,3-diene-1-carboxamide

C13H19NO2 — CID 129121170

IUPAC4-formyl-N-pentylcyclohexa-1,3-diene-1-carboxamide
SMILESCCCCCNC(=O)C1=CC=C(C=O)CC1
InChIInChI=1S/C13H19NO2/c1-2-3-4-9-14-13(16)12-7-5-11(10-15)6-8-12/h5,7,10H,2-4,6,8-9H2,1H3,(H,14,16)
InChIKeyMHDYJJIFULGNEW-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.14
Rot. Bonds6

About 4-formyl-N-pentylcyclohexa-1,3-diene-1-carboxamide

4-formyl-N-pentylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 129121170) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 4-formyl-N-pentylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name4-formyl-N-pentylcyclohexa-1,3-diene-1-carboxamide
PubChem CID129121170
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name4-formyl-N-pentylcyclohexa-1,3-diene-1-carboxamide
SMILESCCCCCNC(=O)C1=CC=C(C=O)CC1
InChIInChI=1S/C13H19NO2/c1-2-3-4-9-14-13(16)12-7-5-11(10-15)6-8-12/h5,7,10H,2-4,6,8-9H2,1H3,(H,14,16)
InChIKeyMHDYJJIFULGNEW-UHFFFAOYSA-N
XLogP2.14
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 44561543
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CID 92033429
Oxobutylpyridon
CID 129646735
N-ethylcyclohexene-1-carboxamide
CID 18712338
4-methyl-N-pentylcyclopenta-1,3-diene-1-carboxamide
CID 53750432
N-ethyl-4-methylcyclopenta-1,3-diene-1-carboxamide
CID 53752987
4-methyl-N-propylcyclopenta-1,3-diene-1-carboxamide
CID 53830981
N-butyl-4-methylcyclopenta-1,3-diene-1-carboxamide
CID 54072951
4-Butyl-1,2-dihydropyrrol-5-one
CID 55288192
N-Ethylcyclopent-1-ene-1-carboxamide
CID 55300846
2-cyclohexa-1,3-dien-1-yl-N-propylacetamide
CID 59529006
N-(2-methylpropyl)-10-oxodeca-2,4-dienamide
CID 86161104

Frequently Asked Questions

What is the IUPAC name of 4-formyl-N-pentylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 4-formyl-N-pentylcyclohexa-1,3-diene-1-carboxamide (CID 129121170) is 4-formyl-N-pentylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 4-formyl-N-pentylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 4-formyl-N-pentylcyclohexa-1,3-diene-1-carboxamide is CCCCCNC(=O)C1=CC=C(C=O)CC1.
What is the InChIKey of 4-formyl-N-pentylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is MHDYJJIFULGNEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-3-4-9-14-13(16)12-7-5-11(10-15)6-8-12/h5,7,10H,2-4,6,8-9H2,1H3,(H,14,16).
What are the key properties of 4-formyl-N-pentylcyclohexa-1,3-diene-1-carboxamide?
4-formyl-N-pentylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 221.30 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyl-N-pentylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 129121170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).