(3R)-3-(4-iodo-3-methoxyphenyl)pyrrolidine

C11H14INO — CID 130969820

IUPAC(3R)-3-(4-iodo-3-methoxyphenyl)pyrrolidine
SMILESCOc1cc([C@H]2CCNC2)ccc1I
InChIInChI=1S/C11H14INO/c1-14-11-6-8(2-3-10(11)12)9-4-5-13-7-9/h2-3,6,9,13H,4-5,7H2,1H3/t9-/m0/s1
InChIKeyKMFRTGNJVRGPQP-VIFPVBQESA-N
MW303.14 g/mol
LogP2.38
Rot. Bonds2

About (3R)-3-(4-iodo-3-methoxyphenyl)pyrrolidine

(3R)-3-(4-iodo-3-methoxyphenyl)pyrrolidine (PubChem CID 130969820) has the molecular formula C11H14INO and a molecular weight of 303.14 g/mol. Its IUPAC name is (3R)-3-(4-iodo-3-methoxyphenyl)pyrrolidine.

Molecular Properties

Compound Name(3R)-3-(4-iodo-3-methoxyphenyl)pyrrolidine
PubChem CID130969820
Molecular FormulaC11H14INO
Molecular Weight303.14 g/mol
Exact Mass303.01
IUPAC Name(3R)-3-(4-iodo-3-methoxyphenyl)pyrrolidine
SMILESCOc1cc([C@H]2CCNC2)ccc1I
InChIInChI=1S/C11H14INO/c1-14-11-6-8(2-3-10(11)12)9-4-5-13-7-9/h2-3,6,9,13H,4-5,7H2,1H3/t9-/m0/s1
InChIKeyKMFRTGNJVRGPQP-VIFPVBQESA-N
XLogP2.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.14
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-ethoxy-4-methoxyphenyl)pyrrolidine
CID 116989297
1-(2-methoxy-5-pyrrolidin-3-ylphenyl)-N,N-dimethylmethanamine
CID 82620503
3-(3-cyclopentyloxy-4-methoxyphenyl)pyrrolidine
CID 10467846
3-[4-methoxy-3-(trifluoromethyl)phenyl]pyrrolidine
CID 84705043
3-(4-methoxy-3-methylsulfonylphenyl)pyrrolidine
CID 117391565
4-(2-methoxy-4-pyrrolidin-3-ylphenoxy)-1-methylpiperidine
CID 117469507
2-iodo-4-[(3S)-pyrrolidin-3-yl]phenol
CID 130648349
(3S)-3-(4-chloro-3-iodophenyl)pyrrolidine
CID 131162893
3-(3,4-dimethoxyphenyl)azetidine
CID 75355862
3-(4-bromo-3-methoxy-5-methylphenyl)pyrrolidine
CID 84808965
3-(3-chloro-4-cyclopropyl-5-methoxyphenyl)pyrrolidine
CID 117382800
3-(3-chloro-5-methoxy-4-propan-2-ylphenyl)pyrrolidine
CID 117387946

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-iodo-3-methoxyphenyl)pyrrolidine?
The IUPAC name of (3R)-3-(4-iodo-3-methoxyphenyl)pyrrolidine (CID 130969820) is (3R)-3-(4-iodo-3-methoxyphenyl)pyrrolidine.
What is the SMILES notation for (3R)-3-(4-iodo-3-methoxyphenyl)pyrrolidine?
The canonical SMILES for (3R)-3-(4-iodo-3-methoxyphenyl)pyrrolidine is COc1cc([C@H]2CCNC2)ccc1I.
What is the InChIKey of (3R)-3-(4-iodo-3-methoxyphenyl)pyrrolidine?
The InChIKey is KMFRTGNJVRGPQP-VIFPVBQESA-N. The full InChI is InChI=1S/C11H14INO/c1-14-11-6-8(2-3-10(11)12)9-4-5-13-7-9/h2-3,6,9,13H,4-5,7H2,1H3/t9-/m0/s1.
What are the key properties of (3R)-3-(4-iodo-3-methoxyphenyl)pyrrolidine?
(3R)-3-(4-iodo-3-methoxyphenyl)pyrrolidine has a molecular weight of 303.14 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-iodo-3-methoxyphenyl)pyrrolidine is sourced from PubChem (CID 130969820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).