N-(2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)propanamide

C10H14FNO — CID 143601144

IUPACN-(2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)propanamide
SMILESCCC(=O)NC1=C(F)CCC(C)=C1
InChIInChI=1S/C10H14FNO/c1-3-10(13)12-9-6-7(2)4-5-8(9)11/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyVBNZOXYVTRRXSB-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.43
Rot. Bonds2

About N-(2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)propanamide

N-(2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)propanamide (PubChem CID 143601144) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is N-(2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)propanamide.

Molecular Properties

Compound NameN-(2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)propanamide
PubChem CID143601144
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC NameN-(2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)propanamide
SMILESCCC(=O)NC1=C(F)CCC(C)=C1
InChIInChI=1S/C10H14FNO/c1-3-10(13)12-9-6-7(2)4-5-8(9)11/h6H,3-5H2,1-2H3,(H,12,13)
InChIKeyVBNZOXYVTRRXSB-UHFFFAOYSA-N
XLogP2.43
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)propanamide?
The IUPAC name of N-(2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)propanamide (CID 143601144) is N-(2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)propanamide.
What is the SMILES notation for N-(2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)propanamide?
The canonical SMILES for N-(2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)propanamide is CCC(=O)NC1=C(F)CCC(C)=C1.
What is the InChIKey of N-(2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)propanamide?
The InChIKey is VBNZOXYVTRRXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-3-10(13)12-9-6-7(2)4-5-8(9)11/h6H,3-5H2,1-2H3,(H,12,13).
What are the key properties of N-(2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)propanamide?
N-(2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)propanamide has a molecular weight of 183.23 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-5-methylcyclohexa-1,5-dien-1-yl)propanamide is sourced from PubChem (CID 143601144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).