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

C10H16N2O — CID 97175483

IUPAC[1-[(1R)-1-(1H-pyrrol-2-yl)ethyl]azetidin-3-yl]methanol
SMILESC[C@H](c1ccc[nH]1)N1CC(CO)C1
InChIInChI=1S/C10H16N2O/c1-8(10-3-2-4-11-10)12-5-9(6-12)7-13/h2-4,8-9,11,13H,5-7H2,1H3/t8-/m1/s1
InChIKeyXINDIRBFLZGYCN-MRVPVSSYSA-N
MW180.25 g/mol
LogP1.00
Rot. Bonds3

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

[1-[(1R)-1-(1H-pyrrol-2-yl)ethyl]azetidin-3-yl]methanol (PubChem CID 97175483) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is [1-[(1R)-1-(1H-pyrrol-2-yl)ethyl]azetidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(1R)-1-(1H-pyrrol-2-yl)ethyl]azetidin-3-yl]methanol
PubChem CID97175483
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name[1-[(1R)-1-(1H-pyrrol-2-yl)ethyl]azetidin-3-yl]methanol
SMILESC[C@H](c1ccc[nH]1)N1CC(CO)C1
InChIInChI=1S/C10H16N2O/c1-8(10-3-2-4-11-10)12-5-9(6-12)7-13/h2-4,8-9,11,13H,5-7H2,1H3/t8-/m1/s1
InChIKeyXINDIRBFLZGYCN-MRVPVSSYSA-N
XLogP1.00
TPSA39.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-[(1R)-1-(1H-pyrrol-2-yl)ethyl]azetidin-3-yl]methanol?
The IUPAC name of [1-[(1R)-1-(1H-pyrrol-2-yl)ethyl]azetidin-3-yl]methanol (CID 97175483) is [1-[(1R)-1-(1H-pyrrol-2-yl)ethyl]azetidin-3-yl]methanol.
What is the SMILES notation for [1-[(1R)-1-(1H-pyrrol-2-yl)ethyl]azetidin-3-yl]methanol?
The canonical SMILES for [1-[(1R)-1-(1H-pyrrol-2-yl)ethyl]azetidin-3-yl]methanol is C[C@H](c1ccc[nH]1)N1CC(CO)C1.
What is the InChIKey of [1-[(1R)-1-(1H-pyrrol-2-yl)ethyl]azetidin-3-yl]methanol?
The InChIKey is XINDIRBFLZGYCN-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-8(10-3-2-4-11-10)12-5-9(6-12)7-13/h2-4,8-9,11,13H,5-7H2,1H3/t8-/m1/s1.
What are the key properties of [1-[(1R)-1-(1H-pyrrol-2-yl)ethyl]azetidin-3-yl]methanol?
[1-[(1R)-1-(1H-pyrrol-2-yl)ethyl]azetidin-3-yl]methanol has a molecular weight of 180.25 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1R)-1-(1H-pyrrol-2-yl)ethyl]azetidin-3-yl]methanol is sourced from PubChem (CID 97175483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).