[2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamic acid

C15H15N3O2 — CID 154292670

IUPAC[2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamic acid
SMILESO=C(O)NC1CCCC1=Cc1cnc2ccccc2n1
InChIInChI=1S/C15H15N3O2/c19-15(20)18-12-7-3-4-10(12)8-11-9-16-13-5-1-2-6-14(13)17-11/h1-2,5-6,8-9,12,18H,3-4,7H2,(H,19,20)
InChIKeyWBKFNXFTMCRQBR-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.83
Rot. Bonds2

About [2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamic acid

[2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamic acid (PubChem CID 154292670) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is [2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamic acid.

Molecular Properties

Compound Name[2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamic acid
PubChem CID154292670
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name[2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamic acid
SMILESO=C(O)NC1CCCC1=Cc1cnc2ccccc2n1
InChIInChI=1S/C15H15N3O2/c19-15(20)18-12-7-3-4-10(12)8-11-9-16-13-5-1-2-6-14(13)17-11/h1-2,5-6,8-9,12,18H,3-4,7H2,(H,19,20)
InChIKeyWBKFNXFTMCRQBR-UHFFFAOYSA-N
XLogP2.83
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamic acid?
The IUPAC name of [2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamic acid (CID 154292670) is [2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamic acid.
What is the SMILES notation for [2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamic acid?
The canonical SMILES for [2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamic acid is O=C(O)NC1CCCC1=Cc1cnc2ccccc2n1.
What is the InChIKey of [2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamic acid?
The InChIKey is WBKFNXFTMCRQBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c19-15(20)18-12-7-3-4-10(12)8-11-9-16-13-5-1-2-6-14(13)17-11/h1-2,5-6,8-9,12,18H,3-4,7H2,(H,19,20).
What are the key properties of [2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamic acid?
[2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamic acid has a molecular weight of 269.30 g/mol, XLogP of 2.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(quinoxalin-2-ylmethylidene)cyclopentyl]carbamic acid is sourced from PubChem (CID 154292670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).