(1,2-dimethyl-5-propan-2-ylpyrrol-3-yl)methanol

C10H17NO — CID 116828836

IUPAC(1,2-dimethyl-5-propan-2-ylpyrrol-3-yl)methanol
SMILESCc1c(CO)cc(C(C)C)n1C
InChIInChI=1S/C10H17NO/c1-7(2)10-5-9(6-12)8(3)11(10)4/h5,7,12H,6H2,1-4H3
InChIKeyGEPSHUDMULVMFN-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.95
Rot. Bonds2

About (1,2-dimethyl-5-propan-2-ylpyrrol-3-yl)methanol

(1,2-dimethyl-5-propan-2-ylpyrrol-3-yl)methanol (PubChem CID 116828836) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (1,2-dimethyl-5-propan-2-ylpyrrol-3-yl)methanol.

Molecular Properties

Compound Name(1,2-dimethyl-5-propan-2-ylpyrrol-3-yl)methanol
PubChem CID116828836
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(1,2-dimethyl-5-propan-2-ylpyrrol-3-yl)methanol
SMILESCc1c(CO)cc(C(C)C)n1C
InChIInChI=1S/C10H17NO/c1-7(2)10-5-9(6-12)8(3)11(10)4/h5,7,12H,6H2,1-4H3
InChIKeyGEPSHUDMULVMFN-UHFFFAOYSA-N
XLogP1.95
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1,2-dimethyl-5-propan-2-ylpyrrol-3-yl)methanol?
The IUPAC name of (1,2-dimethyl-5-propan-2-ylpyrrol-3-yl)methanol (CID 116828836) is (1,2-dimethyl-5-propan-2-ylpyrrol-3-yl)methanol.
What is the SMILES notation for (1,2-dimethyl-5-propan-2-ylpyrrol-3-yl)methanol?
The canonical SMILES for (1,2-dimethyl-5-propan-2-ylpyrrol-3-yl)methanol is Cc1c(CO)cc(C(C)C)n1C.
What is the InChIKey of (1,2-dimethyl-5-propan-2-ylpyrrol-3-yl)methanol?
The InChIKey is GEPSHUDMULVMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(2)10-5-9(6-12)8(3)11(10)4/h5,7,12H,6H2,1-4H3.
What are the key properties of (1,2-dimethyl-5-propan-2-ylpyrrol-3-yl)methanol?
(1,2-dimethyl-5-propan-2-ylpyrrol-3-yl)methanol has a molecular weight of 167.25 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethyl-5-propan-2-ylpyrrol-3-yl)methanol is sourced from PubChem (CID 116828836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).