N-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carboxamide

C10H12FNO — CID 163547775

IUPACN-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carboxamide
SMILESCCNC(=O)C1=CC2CC2(F)C=C1
InChIInChI=1S/C10H12FNO/c1-2-12-9(13)7-3-4-10(11)6-8(10)5-7/h3-5,8H,2,6H2,1H3,(H,12,13)
InChIKeyFGMOZFGUMAUSAA-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.35
Rot. Bonds2

About N-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carboxamide

N-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carboxamide (PubChem CID 163547775) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is N-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carboxamide
PubChem CID163547775
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC NameN-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carboxamide
SMILESCCNC(=O)C1=CC2CC2(F)C=C1
InChIInChI=1S/C10H12FNO/c1-2-12-9(13)7-3-4-10(11)6-8(10)5-7/h3-5,8H,2,6H2,1H3,(H,12,13)
InChIKeyFGMOZFGUMAUSAA-UHFFFAOYSA-N
XLogP1.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carboxamide?
The IUPAC name of N-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carboxamide (CID 163547775) is N-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carboxamide.
What is the SMILES notation for N-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carboxamide?
The canonical SMILES for N-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carboxamide is CCNC(=O)C1=CC2CC2(F)C=C1.
What is the InChIKey of N-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carboxamide?
The InChIKey is FGMOZFGUMAUSAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c1-2-12-9(13)7-3-4-10(11)6-8(10)5-7/h3-5,8H,2,6H2,1H3,(H,12,13).
What are the key properties of N-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carboxamide?
N-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carboxamide has a molecular weight of 181.21 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-fluorobicyclo[4.1.0]hepta-2,4-diene-3-carboxamide is sourced from PubChem (CID 163547775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).