3-(2-methoxyphenyl)pyrrolidin-1-ide

C11H14NO- — CID 143249509

IUPAC3-(2-methoxyphenyl)pyrrolidin-1-ide
SMILESCOc1ccccc1C1CC[N-]C1
InChIInChI=1S/C11H14NO/c1-13-11-5-3-2-4-10(11)9-6-7-12-8-9/h2-5,9H,6-8H2,1H3/q-1
InChIKeyAPIRGCWHNJNYTI-UHFFFAOYSA-N
MW176.24 g/mol
LogP2.56
Rot. Bonds2

About 3-(2-methoxyphenyl)pyrrolidin-1-ide

3-(2-methoxyphenyl)pyrrolidin-1-ide (PubChem CID 143249509) has the molecular formula C11H14NO- and a molecular weight of 176.24 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)pyrrolidin-1-ide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)pyrrolidin-1-ide
PubChem CID143249509
Molecular FormulaC11H14NO-
Molecular Weight176.24 g/mol
Exact Mass176.11
IUPAC Name3-(2-methoxyphenyl)pyrrolidin-1-ide
SMILESCOc1ccccc1C1CC[N-]C1
InChIInChI=1S/C11H14NO/c1-13-11-5-3-2-4-10(11)9-6-7-12-8-9/h2-5,9H,6-8H2,1H3/q-1
InChIKeyAPIRGCWHNJNYTI-UHFFFAOYSA-N
XLogP2.56
TPSA23.33 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.24
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 54032409
1-methoxy-2-(3-methoxycyclohexyl)benzene
CID 20692480
1-hydroxy-4-(2-methoxyphenyl)piperidine
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(2R)-2-(2-methoxyphenyl)oxirane
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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)pyrrolidin-1-ide?
The IUPAC name of 3-(2-methoxyphenyl)pyrrolidin-1-ide (CID 143249509) is 3-(2-methoxyphenyl)pyrrolidin-1-ide.
What is the SMILES notation for 3-(2-methoxyphenyl)pyrrolidin-1-ide?
The canonical SMILES for 3-(2-methoxyphenyl)pyrrolidin-1-ide is COc1ccccc1C1CC[N-]C1.
What is the InChIKey of 3-(2-methoxyphenyl)pyrrolidin-1-ide?
The InChIKey is APIRGCWHNJNYTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14NO/c1-13-11-5-3-2-4-10(11)9-6-7-12-8-9/h2-5,9H,6-8H2,1H3/q-1.
What are the key properties of 3-(2-methoxyphenyl)pyrrolidin-1-ide?
3-(2-methoxyphenyl)pyrrolidin-1-ide has a molecular weight of 176.24 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)pyrrolidin-1-ide is sourced from PubChem (CID 143249509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).