N-[1-(fluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

C14H13FN2O — CID 141405537

IUPACN-[1-(fluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(NC1(CF)CCC1)c1ccc2c3[nH]c-3cc1-2
InChIInChI=1S/C14H13FN2O/c15-7-14(4-1-5-14)17-13(18)9-3-2-8-10(9)6-11-12(8)16-11/h2-3,6,16H,1,4-5,7H2,(H,17,18)
InChIKeyMEDMNHQSBPLUBR-UHFFFAOYSA-N
MW244.27 g/mol
LogP2.72
Rot. Bonds3

About N-[1-(fluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide

N-[1-(fluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (PubChem CID 141405537) has the molecular formula C14H13FN2O and a molecular weight of 244.27 g/mol. Its IUPAC name is N-[1-(fluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.

Molecular Properties

Compound NameN-[1-(fluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
PubChem CID141405537
Molecular FormulaC14H13FN2O
Molecular Weight244.27 g/mol
Exact Mass244.10
IUPAC NameN-[1-(fluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide
SMILESO=C(NC1(CF)CCC1)c1ccc2c3[nH]c-3cc1-2
InChIInChI=1S/C14H13FN2O/c15-7-14(4-1-5-14)17-13(18)9-3-2-8-10(9)6-11-12(8)16-11/h2-3,6,16H,1,4-5,7H2,(H,17,18)
InChIKeyMEDMNHQSBPLUBR-UHFFFAOYSA-N
XLogP2.72
TPSA44.89 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.27
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-[1-(fluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The IUPAC name of N-[1-(fluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide (CID 141405537) is N-[1-(fluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide.
What is the SMILES notation for N-[1-(fluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The canonical SMILES for N-[1-(fluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is O=C(NC1(CF)CCC1)c1ccc2c3[nH]c-3cc1-2.
What is the InChIKey of N-[1-(fluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
The InChIKey is MEDMNHQSBPLUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O/c15-7-14(4-1-5-14)17-13(18)9-3-2-8-10(9)6-11-12(8)16-11/h2-3,6,16H,1,4-5,7H2,(H,17,18).
What are the key properties of N-[1-(fluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide?
N-[1-(fluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide has a molecular weight of 244.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(fluoromethyl)cyclobutyl]-3-azatricyclo[4.3.0.02,4]nona-1,4,6,8-tetraene-7-carboxamide is sourced from PubChem (CID 141405537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).