(3-methoxyphenyl)-(4-methoxypyrrolidin-2-yl)methanone

C13H17NO3 — CID 116560608

IUPAC(3-methoxyphenyl)-(4-methoxypyrrolidin-2-yl)methanone
SMILESCOc1cccc(C(=O)C2CC(OC)CN2)c1
InChIInChI=1S/C13H17NO3/c1-16-10-5-3-4-9(6-10)13(15)12-7-11(17-2)8-14-12/h3-6,11-12,14H,7-8H2,1-2H3
InChIKeyJVKBJOVRQJXVNQ-UHFFFAOYSA-N
MW235.28 g/mol
LogP1.25
Rot. Bonds4

About (3-methoxyphenyl)-(4-methoxypyrrolidin-2-yl)methanone

(3-methoxyphenyl)-(4-methoxypyrrolidin-2-yl)methanone (PubChem CID 116560608) has the molecular formula C13H17NO3 and a molecular weight of 235.28 g/mol. Its IUPAC name is (3-methoxyphenyl)-(4-methoxypyrrolidin-2-yl)methanone.

Molecular Properties

Compound Name(3-methoxyphenyl)-(4-methoxypyrrolidin-2-yl)methanone
PubChem CID116560608
Molecular FormulaC13H17NO3
Molecular Weight235.28 g/mol
Exact Mass235.12
IUPAC Name(3-methoxyphenyl)-(4-methoxypyrrolidin-2-yl)methanone
SMILESCOc1cccc(C(=O)C2CC(OC)CN2)c1
InChIInChI=1S/C13H17NO3/c1-16-10-5-3-4-9(6-10)13(15)12-7-11(17-2)8-14-12/h3-6,11-12,14H,7-8H2,1-2H3
InChIKeyJVKBJOVRQJXVNQ-UHFFFAOYSA-N
XLogP1.25
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3,4-difluorophenyl)-(4-methoxypyrrolidin-2-yl)methanone
CID 116560501
(4-chlorophenyl)-(4-methoxypyrrolidin-2-yl)methanone
CID 116560565
4-methoxy-N-[(1R)-1-(3-methoxyphenyl)ethyl]pyrrolidine-2-carboxamide
CID 81373074
(3-methoxyphenyl)-[(2R)-piperidin-2-yl]methanone
CID 95442884
cyclopropyl-(3-methoxyphenyl)methanone
CID 12634433
cycloheptyl-(3-methoxyphenyl)methanone
CID 65399617
(3-methoxyphenyl)-(3-tricyclo[3.2.1.02,4]octanyl)methanone
CID 114097286
(3-methoxyphenyl)-(3-oxa-9-azabicyclo[3.3.1]nonan-7-yl)methanone
CID 171944232
cis-(1R,3S)-3-(3-methoxybenzoyl)cyclohexane-1-carboxylic acid
CID 24722452
(3-methoxyphenyl)-(5-methyloxolan-3-yl)methanone
CID 114962440
(4-hydroxypyrrolidin-2-yl)-[4-(3-methoxybenzoyl)piperazin-1-yl]methanone;hydrochloride
CID 119727479
1-(3-methoxyphenyl)-2-naphthalen-2-ylethane-1,2-dione
CID 170457473

Frequently Asked Questions

What is the IUPAC name of (3-methoxyphenyl)-(4-methoxypyrrolidin-2-yl)methanone?
The IUPAC name of (3-methoxyphenyl)-(4-methoxypyrrolidin-2-yl)methanone (CID 116560608) is (3-methoxyphenyl)-(4-methoxypyrrolidin-2-yl)methanone.
What is the SMILES notation for (3-methoxyphenyl)-(4-methoxypyrrolidin-2-yl)methanone?
The canonical SMILES for (3-methoxyphenyl)-(4-methoxypyrrolidin-2-yl)methanone is COc1cccc(C(=O)C2CC(OC)CN2)c1.
What is the InChIKey of (3-methoxyphenyl)-(4-methoxypyrrolidin-2-yl)methanone?
The InChIKey is JVKBJOVRQJXVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO3/c1-16-10-5-3-4-9(6-10)13(15)12-7-11(17-2)8-14-12/h3-6,11-12,14H,7-8H2,1-2H3.
What are the key properties of (3-methoxyphenyl)-(4-methoxypyrrolidin-2-yl)methanone?
(3-methoxyphenyl)-(4-methoxypyrrolidin-2-yl)methanone has a molecular weight of 235.28 g/mol, XLogP of 1.25, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxyphenyl)-(4-methoxypyrrolidin-2-yl)methanone is sourced from PubChem (CID 116560608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).