N-[1-(4-methylcyclohexa-2,4-dien-1-yl)-3-oxopropan-2-yl]formamide

C11H15NO2 — CID 145135062

IUPACN-[1-(4-methylcyclohexa-2,4-dien-1-yl)-3-oxopropan-2-yl]formamide
SMILESCC1=CCC(CC(C=O)NC=O)C=C1
InChIInChI=1S/C11H15NO2/c1-9-2-4-10(5-3-9)6-11(7-13)12-8-14/h2-4,7-8,10-11H,5-6H2,1H3,(H,12,14)
InChIKeyWQAMPWONOGVOMS-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.21
Rot. Bonds5

About N-[1-(4-methylcyclohexa-2,4-dien-1-yl)-3-oxopropan-2-yl]formamide

N-[1-(4-methylcyclohexa-2,4-dien-1-yl)-3-oxopropan-2-yl]formamide (PubChem CID 145135062) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is N-[1-(4-methylcyclohexa-2,4-dien-1-yl)-3-oxopropan-2-yl]formamide.

Molecular Properties

Compound NameN-[1-(4-methylcyclohexa-2,4-dien-1-yl)-3-oxopropan-2-yl]formamide
PubChem CID145135062
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC NameN-[1-(4-methylcyclohexa-2,4-dien-1-yl)-3-oxopropan-2-yl]formamide
SMILESCC1=CCC(CC(C=O)NC=O)C=C1
InChIInChI=1S/C11H15NO2/c1-9-2-4-10(5-3-9)6-11(7-13)12-8-14/h2-4,7-8,10-11H,5-6H2,1H3,(H,12,14)
InChIKeyWQAMPWONOGVOMS-UHFFFAOYSA-N
XLogP1.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-[1-(4-methylcyclohexa-2,4-dien-1-yl)-3-oxopropan-2-yl]formamide?
The IUPAC name of N-[1-(4-methylcyclohexa-2,4-dien-1-yl)-3-oxopropan-2-yl]formamide (CID 145135062) is N-[1-(4-methylcyclohexa-2,4-dien-1-yl)-3-oxopropan-2-yl]formamide.
What is the SMILES notation for N-[1-(4-methylcyclohexa-2,4-dien-1-yl)-3-oxopropan-2-yl]formamide?
The canonical SMILES for N-[1-(4-methylcyclohexa-2,4-dien-1-yl)-3-oxopropan-2-yl]formamide is CC1=CCC(CC(C=O)NC=O)C=C1.
What is the InChIKey of N-[1-(4-methylcyclohexa-2,4-dien-1-yl)-3-oxopropan-2-yl]formamide?
The InChIKey is WQAMPWONOGVOMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-9-2-4-10(5-3-9)6-11(7-13)12-8-14/h2-4,7-8,10-11H,5-6H2,1H3,(H,12,14).
What are the key properties of N-[1-(4-methylcyclohexa-2,4-dien-1-yl)-3-oxopropan-2-yl]formamide?
N-[1-(4-methylcyclohexa-2,4-dien-1-yl)-3-oxopropan-2-yl]formamide has a molecular weight of 193.25 g/mol, XLogP of 1.21, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-methylcyclohexa-2,4-dien-1-yl)-3-oxopropan-2-yl]formamide is sourced from PubChem (CID 145135062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).