2-[N-(1-ethylpyrrolidin-2-yl)-C-methylcarbonimidoyl]-3-methoxyphenol

C15H22N2O2 — CID 173481764

IUPAC2-[N-(1-ethylpyrrolidin-2-yl)-C-methylcarbonimidoyl]-3-methoxyphenol
SMILESCCN1CCCC1N=C(C)c1c(O)cccc1OC
InChIInChI=1S/C15H22N2O2/c1-4-17-10-6-9-14(17)16-11(2)15-12(18)7-5-8-13(15)19-3/h5,7-8,14,18H,4,6,9-10H2,1-3H3
InChIKeyYNQBSVJDGIMINM-UHFFFAOYSA-N
MW262.35 g/mol
LogP2.65
Rot. Bonds4

About 2-[N-(1-ethylpyrrolidin-2-yl)-C-methylcarbonimidoyl]-3-methoxyphenol

2-[N-(1-ethylpyrrolidin-2-yl)-C-methylcarbonimidoyl]-3-methoxyphenol (PubChem CID 173481764) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[N-(1-ethylpyrrolidin-2-yl)-C-methylcarbonimidoyl]-3-methoxyphenol.

Molecular Properties

Compound Name2-[N-(1-ethylpyrrolidin-2-yl)-C-methylcarbonimidoyl]-3-methoxyphenol
PubChem CID173481764
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[N-(1-ethylpyrrolidin-2-yl)-C-methylcarbonimidoyl]-3-methoxyphenol
SMILESCCN1CCCC1N=C(C)c1c(O)cccc1OC
InChIInChI=1S/C15H22N2O2/c1-4-17-10-6-9-14(17)16-11(2)15-12(18)7-5-8-13(15)19-3/h5,7-8,14,18H,4,6,9-10H2,1-3H3
InChIKeyYNQBSVJDGIMINM-UHFFFAOYSA-N
XLogP2.65
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[N-(1-ethylpyrrolidin-2-yl)-C-methylcarbonimidoyl]-3-methoxyphenol?
The IUPAC name of 2-[N-(1-ethylpyrrolidin-2-yl)-C-methylcarbonimidoyl]-3-methoxyphenol (CID 173481764) is 2-[N-(1-ethylpyrrolidin-2-yl)-C-methylcarbonimidoyl]-3-methoxyphenol.
What is the SMILES notation for 2-[N-(1-ethylpyrrolidin-2-yl)-C-methylcarbonimidoyl]-3-methoxyphenol?
The canonical SMILES for 2-[N-(1-ethylpyrrolidin-2-yl)-C-methylcarbonimidoyl]-3-methoxyphenol is CCN1CCCC1N=C(C)c1c(O)cccc1OC.
What is the InChIKey of 2-[N-(1-ethylpyrrolidin-2-yl)-C-methylcarbonimidoyl]-3-methoxyphenol?
The InChIKey is YNQBSVJDGIMINM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-17-10-6-9-14(17)16-11(2)15-12(18)7-5-8-13(15)19-3/h5,7-8,14,18H,4,6,9-10H2,1-3H3.
What are the key properties of 2-[N-(1-ethylpyrrolidin-2-yl)-C-methylcarbonimidoyl]-3-methoxyphenol?
2-[N-(1-ethylpyrrolidin-2-yl)-C-methylcarbonimidoyl]-3-methoxyphenol has a molecular weight of 262.35 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(1-ethylpyrrolidin-2-yl)-C-methylcarbonimidoyl]-3-methoxyphenol is sourced from PubChem (CID 173481764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).