[(3R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methanol

C11H18N2O — CID 98084244

IUPAC[(3R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methanol
SMILESC[C@@H](c1ccc[nH]1)N1CC[C@@H](CO)C1
InChIInChI=1S/C11H18N2O/c1-9(11-3-2-5-12-11)13-6-4-10(7-13)8-14/h2-3,5,9-10,12,14H,4,6-8H2,1H3/t9-,10+/m0/s1
InChIKeyXGNOOEQWVQLNAE-VHSXEESVSA-N
MW194.28 g/mol
LogP1.39
Rot. Bonds3

About [(3R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methanol

[(3R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methanol (PubChem CID 98084244) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is [(3R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[(3R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methanol
PubChem CID98084244
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name[(3R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methanol
SMILESC[C@@H](c1ccc[nH]1)N1CC[C@@H](CO)C1
InChIInChI=1S/C11H18N2O/c1-9(11-3-2-5-12-11)13-6-4-10(7-13)8-14/h2-3,5,9-10,12,14H,4,6-8H2,1H3/t9-,10+/m0/s1
InChIKeyXGNOOEQWVQLNAE-VHSXEESVSA-N
XLogP1.39
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [(3R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-[(1R)-1-(1H-pyrrol-2-yl)ethyl]azetidin-3-yl]methanol
CID 97175483
(3S)-1-[1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-amine;hydrochloride
CID 71637682
(1-propan-2-ylpyrrolidin-3-yl)methanol
CID 16641305
tert-butyl N-[[(3S)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]piperidin-3-yl]methyl]carbamate
CID 98084269
tert-butyl N-[(3R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]carbamate
CID 97175514
[(3R)-1-[(1S)-1-thiophen-2-ylethyl]piperidin-3-yl]methanol
CID 98084280
[1-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]pyrrolidin-3-yl]methanol
CID 111543771
[(3S)-1-[(1R)-1-(furan-2-yl)ethyl]piperidin-3-yl]methanol
CID 129373082
[1-(1-thiophen-2-ylpropan-2-yl)pyrrolidin-3-yl]methanol
CID 64867112
[1-[1-(furan-2-yl)propan-2-yl]pyrrolidin-3-yl]methanol
CID 64866259
[(3S)-1-[(2R)-4-phenylsulfanylbutan-2-yl]pyrrolidin-3-yl]methanol
CID 97237730
[1-[(1S)-1-thiophen-2-ylethyl]piperidin-4-yl]methanol
CID 97175553

Frequently Asked Questions

What is the IUPAC name of [(3R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methanol?
The IUPAC name of [(3R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methanol (CID 98084244) is [(3R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [(3R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [(3R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methanol is C[C@@H](c1ccc[nH]1)N1CC[C@@H](CO)C1.
What is the InChIKey of [(3R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methanol?
The InChIKey is XGNOOEQWVQLNAE-VHSXEESVSA-N. The full InChI is InChI=1S/C11H18N2O/c1-9(11-3-2-5-12-11)13-6-4-10(7-13)8-14/h2-3,5,9-10,12,14H,4,6-8H2,1H3/t9-,10+/m0/s1.
What are the key properties of [(3R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methanol?
[(3R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methanol has a molecular weight of 194.28 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-1-[(1S)-1-(1H-pyrrol-2-yl)ethyl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 98084244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).