(2R)-2-(2,4,6-trimethoxyphenyl)pyrrolidine-1-carbaldehyde

C14H19NO4 — CID 164666012

IUPAC(2R)-2-(2,4,6-trimethoxyphenyl)pyrrolidine-1-carbaldehyde
SMILESCOc1cc(OC)c([C@H]2CCCN2C=O)c(OC)c1
InChIInChI=1S/C14H19NO4/c1-17-10-7-12(18-2)14(13(8-10)19-3)11-5-4-6-15(11)9-16/h7-9,11H,4-6H2,1-3H3/t11-/m1/s1
InChIKeyUJGXJUHSWXNVQN-LLVKDONJSA-N
MW265.31 g/mol
LogP2.01
Rot. Bonds5

About (2R)-2-(2,4,6-trimethoxyphenyl)pyrrolidine-1-carbaldehyde

(2R)-2-(2,4,6-trimethoxyphenyl)pyrrolidine-1-carbaldehyde (PubChem CID 164666012) has the molecular formula C14H19NO4 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2R)-2-(2,4,6-trimethoxyphenyl)pyrrolidine-1-carbaldehyde.

Molecular Properties

Compound Name(2R)-2-(2,4,6-trimethoxyphenyl)pyrrolidine-1-carbaldehyde
PubChem CID164666012
Molecular FormulaC14H19NO4
Molecular Weight265.31 g/mol
Exact Mass265.13
IUPAC Name(2R)-2-(2,4,6-trimethoxyphenyl)pyrrolidine-1-carbaldehyde
SMILESCOc1cc(OC)c([C@H]2CCCN2C=O)c(OC)c1
InChIInChI=1S/C14H19NO4/c1-17-10-7-12(18-2)14(13(8-10)19-3)11-5-4-6-15(11)9-16/h7-9,11H,4-6H2,1-3H3/t11-/m1/s1
InChIKeyUJGXJUHSWXNVQN-LLVKDONJSA-N
XLogP2.01
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(2,6-dimethoxyphenyl)piperidine-1-carbaldehyde
CID 124500754
1-methyl-4-(2,4,6-trimethoxyphenyl)pyrrolidin-2-one
CID 154196757
(4R)-4-(azepan-1-yl)-5,7-dimethoxy-1,2,3,4-tetrahydroisoquinoline
CID 9169849
2-(3-methylphenyl)pyrrolidine-1-carbaldehyde;hydrochloride
CID 175371081
1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]ethanone
CID 73440076
2-(6-methoxy-3-pyridinyl)piperidine-1-carbaldehyde
CID 102539308
(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
CID 94709986
(2R)-2-(2,4,6-trimethoxyphenyl)azetidine
CID 171197166
(2R)-2-(4-fluorophenyl)pyrrolidine-1-carbaldehyde
CID 124501094
2-(3-hydroxyphenyl)pyrrolidine-1-carbaldehyde
CID 174863712
6,8-dimethoxy-1-[methoxy(methylsulfanyl)methyl]-1,2,3,4-tetrahydronaphthalene
CID 10912995
1-[[4-(trifluoromethoxy)phenyl]methyl]-6-(2,4,6-trimethoxyphenyl)piperidin-2-one
CID 69085032

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,4,6-trimethoxyphenyl)pyrrolidine-1-carbaldehyde?
The IUPAC name of (2R)-2-(2,4,6-trimethoxyphenyl)pyrrolidine-1-carbaldehyde (CID 164666012) is (2R)-2-(2,4,6-trimethoxyphenyl)pyrrolidine-1-carbaldehyde.
What is the SMILES notation for (2R)-2-(2,4,6-trimethoxyphenyl)pyrrolidine-1-carbaldehyde?
The canonical SMILES for (2R)-2-(2,4,6-trimethoxyphenyl)pyrrolidine-1-carbaldehyde is COc1cc(OC)c([C@H]2CCCN2C=O)c(OC)c1.
What is the InChIKey of (2R)-2-(2,4,6-trimethoxyphenyl)pyrrolidine-1-carbaldehyde?
The InChIKey is UJGXJUHSWXNVQN-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19NO4/c1-17-10-7-12(18-2)14(13(8-10)19-3)11-5-4-6-15(11)9-16/h7-9,11H,4-6H2,1-3H3/t11-/m1/s1.
What are the key properties of (2R)-2-(2,4,6-trimethoxyphenyl)pyrrolidine-1-carbaldehyde?
(2R)-2-(2,4,6-trimethoxyphenyl)pyrrolidine-1-carbaldehyde has a molecular weight of 265.31 g/mol, XLogP of 2.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,4,6-trimethoxyphenyl)pyrrolidine-1-carbaldehyde is sourced from PubChem (CID 164666012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).