(3R)-1-[(2R)-7-chloro-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol

C14H19ClN2O — CID 164603558

IUPAC(3R)-1-[(2R)-7-chloro-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
SMILESCNC1c2c(Cl)cccc2C[C@H]1N1CC[C@@H](O)C1
InChIInChI=1S/C14H19ClN2O/c1-16-14-12(17-6-5-10(18)8-17)7-9-3-2-4-11(15)13(9)14/h2-4,10,12,14,16,18H,5-8H2,1H3/t10-,12-,14?/m1/s1
InChIKeyCAEZXROWSLMJDC-RMPUTMTLSA-N
MW266.77 g/mol
LogP1.59
Rot. Bonds2

About (3R)-1-[(2R)-7-chloro-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol

(3R)-1-[(2R)-7-chloro-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol (PubChem CID 164603558) has the molecular formula C14H19ClN2O and a molecular weight of 266.77 g/mol. Its IUPAC name is (3R)-1-[(2R)-7-chloro-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[(2R)-7-chloro-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
PubChem CID164603558
Molecular FormulaC14H19ClN2O
Molecular Weight266.77 g/mol
Exact Mass266.12
IUPAC Name(3R)-1-[(2R)-7-chloro-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol
SMILESCNC1c2c(Cl)cccc2C[C@H]1N1CC[C@@H](O)C1
InChIInChI=1S/C14H19ClN2O/c1-16-14-12(17-6-5-10(18)8-17)7-9-3-2-4-11(15)13(9)14/h2-4,10,12,14,16,18H,5-8H2,1H3/t10-,12-,14?/m1/s1
InChIKeyCAEZXROWSLMJDC-RMPUTMTLSA-N
XLogP1.59
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.77
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[(2R)-7-chloro-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[(2R)-7-chloro-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol (CID 164603558) is (3R)-1-[(2R)-7-chloro-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[(2R)-7-chloro-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[(2R)-7-chloro-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol is CNC1c2c(Cl)cccc2C[C@H]1N1CC[C@@H](O)C1.
What is the InChIKey of (3R)-1-[(2R)-7-chloro-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
The InChIKey is CAEZXROWSLMJDC-RMPUTMTLSA-N. The full InChI is InChI=1S/C14H19ClN2O/c1-16-14-12(17-6-5-10(18)8-17)7-9-3-2-4-11(15)13(9)14/h2-4,10,12,14,16,18H,5-8H2,1H3/t10-,12-,14?/m1/s1.
What are the key properties of (3R)-1-[(2R)-7-chloro-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol?
(3R)-1-[(2R)-7-chloro-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol has a molecular weight of 266.77 g/mol, XLogP of 1.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[(2R)-7-chloro-1-(methylamino)-2,3-dihydro-1H-inden-2-yl]pyrrolidin-3-ol is sourced from PubChem (CID 164603558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).