(3S)-2,4-dimethyl-3-pyrrol-1-ylpentan-1-ol

C11H19NO — CID 134857937

IUPAC(3S)-2,4-dimethyl-3-pyrrol-1-ylpentan-1-ol
SMILESCC(C)[C@@H](C(C)CO)n1cccc1
InChIInChI=1S/C11H19NO/c1-9(2)11(10(3)8-13)12-6-4-5-7-12/h4-7,9-11,13H,8H2,1-3H3/t10?,11-/m0/s1
InChIKeyRBSAMLGONAWSTJ-DTIOYNMSSA-N
MW181.28 g/mol
LogP2.31
Rot. Bonds4

About (3S)-2,4-dimethyl-3-pyrrol-1-ylpentan-1-ol

(3S)-2,4-dimethyl-3-pyrrol-1-ylpentan-1-ol (PubChem CID 134857937) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (3S)-2,4-dimethyl-3-pyrrol-1-ylpentan-1-ol.

Molecular Properties

Compound Name(3S)-2,4-dimethyl-3-pyrrol-1-ylpentan-1-ol
PubChem CID134857937
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(3S)-2,4-dimethyl-3-pyrrol-1-ylpentan-1-ol
SMILESCC(C)[C@@H](C(C)CO)n1cccc1
InChIInChI=1S/C11H19NO/c1-9(2)11(10(3)8-13)12-6-4-5-7-12/h4-7,9-11,13H,8H2,1-3H3/t10?,11-/m0/s1
InChIKeyRBSAMLGONAWSTJ-DTIOYNMSSA-N
XLogP2.31
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Hydroxypropyl)pyrrole
CID 12794991
11-(1H-Pyrrol-1-yl)undecan-1-ol
CID 13419699
3-(2-Resp-3-methyl-1-pyrrolyl)propanol
CID 70163108
4-Pyrrol-1-ylbutan-1-ol
CID 12794992
1-Pyrrol-1-ylethanol
CID 18004297
2-Methyl-1-(1H-pyrrol-1-yl)propan-1-ol
CID 45087800
Dimethyltetramethylenpyrrol
CID 59815710
5-(1-Pyrrolyl)pentan-1-ol
CID 63812265
12-(1H-Pyrrol-1-yl)dodecan-1-ol
CID 21253577
(1R,3R,5R)-1-pyrrol-1-ylhexane-1,3,5-triol
CID 11708246
1-Hydroxy-2,2-dimethyl-1-pyrrol-1-ylpentan-3-one
CID 73003844
5-Pyrrol-1-ylpentan-2-ol
CID 85310978

Frequently Asked Questions

What is the IUPAC name of (3S)-2,4-dimethyl-3-pyrrol-1-ylpentan-1-ol?
The IUPAC name of (3S)-2,4-dimethyl-3-pyrrol-1-ylpentan-1-ol (CID 134857937) is (3S)-2,4-dimethyl-3-pyrrol-1-ylpentan-1-ol.
What is the SMILES notation for (3S)-2,4-dimethyl-3-pyrrol-1-ylpentan-1-ol?
The canonical SMILES for (3S)-2,4-dimethyl-3-pyrrol-1-ylpentan-1-ol is CC(C)[C@@H](C(C)CO)n1cccc1.
What is the InChIKey of (3S)-2,4-dimethyl-3-pyrrol-1-ylpentan-1-ol?
The InChIKey is RBSAMLGONAWSTJ-DTIOYNMSSA-N. The full InChI is InChI=1S/C11H19NO/c1-9(2)11(10(3)8-13)12-6-4-5-7-12/h4-7,9-11,13H,8H2,1-3H3/t10?,11-/m0/s1.
What are the key properties of (3S)-2,4-dimethyl-3-pyrrol-1-ylpentan-1-ol?
(3S)-2,4-dimethyl-3-pyrrol-1-ylpentan-1-ol has a molecular weight of 181.28 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-2,4-dimethyl-3-pyrrol-1-ylpentan-1-ol is sourced from PubChem (CID 134857937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).