1-methyl-3-propan-2-yl-2,3-dihydropyrrol-5-ol

C8H15NO — CID 156563500

IUPAC1-methyl-3-propan-2-yl-2,3-dihydropyrrol-5-ol
SMILESCC(C)C1C=C(O)N(C)C1
InChIInChI=1S/C8H15NO/c1-6(2)7-4-8(10)9(3)5-7/h4,6-7,10H,5H2,1-3H3
InChIKeyMDHRSWXCBXAQPW-UHFFFAOYSA-N
MW141.21 g/mol
LogP1.60
Rot. Bonds1

About 1-methyl-3-propan-2-yl-2,3-dihydropyrrol-5-ol

1-methyl-3-propan-2-yl-2,3-dihydropyrrol-5-ol (PubChem CID 156563500) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 1-methyl-3-propan-2-yl-2,3-dihydropyrrol-5-ol.

Molecular Properties

Compound Name1-methyl-3-propan-2-yl-2,3-dihydropyrrol-5-ol
PubChem CID156563500
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name1-methyl-3-propan-2-yl-2,3-dihydropyrrol-5-ol
SMILESCC(C)C1C=C(O)N(C)C1
InChIInChI=1S/C8H15NO/c1-6(2)7-4-8(10)9(3)5-7/h4,6-7,10H,5H2,1-3H3
InChIKeyMDHRSWXCBXAQPW-UHFFFAOYSA-N
XLogP1.60
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-propan-2-yl-2,3-dihydropyrrol-5-ol?
The IUPAC name of 1-methyl-3-propan-2-yl-2,3-dihydropyrrol-5-ol (CID 156563500) is 1-methyl-3-propan-2-yl-2,3-dihydropyrrol-5-ol.
What is the SMILES notation for 1-methyl-3-propan-2-yl-2,3-dihydropyrrol-5-ol?
The canonical SMILES for 1-methyl-3-propan-2-yl-2,3-dihydropyrrol-5-ol is CC(C)C1C=C(O)N(C)C1.
What is the InChIKey of 1-methyl-3-propan-2-yl-2,3-dihydropyrrol-5-ol?
The InChIKey is MDHRSWXCBXAQPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO/c1-6(2)7-4-8(10)9(3)5-7/h4,6-7,10H,5H2,1-3H3.
What are the key properties of 1-methyl-3-propan-2-yl-2,3-dihydropyrrol-5-ol?
1-methyl-3-propan-2-yl-2,3-dihydropyrrol-5-ol has a molecular weight of 141.21 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-propan-2-yl-2,3-dihydropyrrol-5-ol is sourced from PubChem (CID 156563500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).