N-[(2-hydroxycyclopentyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

C15H19NO2 — CID 66394395

IUPACN-[(2-hydroxycyclopentyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESO=C(NCC1CCCC1O)C1Cc2ccccc21
InChIInChI=1S/C15H19NO2/c17-14-7-3-5-11(14)9-16-15(18)13-8-10-4-1-2-6-12(10)13/h1-2,4,6,11,13-14,17H,3,5,7-9H2,(H,16,18)
InChIKeyJXRZDZMQBUAFRB-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.60
Rot. Bonds3

About N-[(2-hydroxycyclopentyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide

N-[(2-hydroxycyclopentyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (PubChem CID 66394395) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[(2-hydroxycyclopentyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxycyclopentyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
PubChem CID66394395
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC NameN-[(2-hydroxycyclopentyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide
SMILESO=C(NCC1CCCC1O)C1Cc2ccccc21
InChIInChI=1S/C15H19NO2/c17-14-7-3-5-11(14)9-16-15(18)13-8-10-4-1-2-6-12(10)13/h1-2,4,6,11,13-14,17H,3,5,7-9H2,(H,16,18)
InChIKeyJXRZDZMQBUAFRB-UHFFFAOYSA-N
XLogP1.60
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxycyclopentyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The IUPAC name of N-[(2-hydroxycyclopentyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide (CID 66394395) is N-[(2-hydroxycyclopentyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide.
What is the SMILES notation for N-[(2-hydroxycyclopentyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The canonical SMILES for N-[(2-hydroxycyclopentyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is O=C(NCC1CCCC1O)C1Cc2ccccc21.
What is the InChIKey of N-[(2-hydroxycyclopentyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
The InChIKey is JXRZDZMQBUAFRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-14-7-3-5-11(14)9-16-15(18)13-8-10-4-1-2-6-12(10)13/h1-2,4,6,11,13-14,17H,3,5,7-9H2,(H,16,18).
What are the key properties of N-[(2-hydroxycyclopentyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide?
N-[(2-hydroxycyclopentyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide has a molecular weight of 245.32 g/mol, XLogP of 1.60, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxycyclopentyl)methyl]bicyclo[4.2.0]octa-1,3,5-triene-7-carboxamide is sourced from PubChem (CID 66394395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).