4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol

C9H17NO — CID 118190574

IUPAC4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol
SMILESCC1=CCN(C(C)C)CC1O
InChIInChI=1S/C9H17NO/c1-7(2)10-5-4-8(3)9(11)6-10/h4,7,9,11H,5-6H2,1-3H3
InChIKeyTYSVAYGKODWVIP-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.02
Rot. Bonds1

About 4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol

4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol (PubChem CID 118190574) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol.

Molecular Properties

Compound Name4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol
PubChem CID118190574
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol
SMILESCC1=CCN(C(C)C)CC1O
InChIInChI=1S/C9H17NO/c1-7(2)10-5-4-8(3)9(11)6-10/h4,7,9,11H,5-6H2,1-3H3
InChIKeyTYSVAYGKODWVIP-UHFFFAOYSA-N
XLogP1.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol?
The IUPAC name of 4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol (CID 118190574) is 4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol.
What is the SMILES notation for 4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol?
The canonical SMILES for 4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol is CC1=CCN(C(C)C)CC1O.
What is the InChIKey of 4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol?
The InChIKey is TYSVAYGKODWVIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-7(2)10-5-4-8(3)9(11)6-10/h4,7,9,11H,5-6H2,1-3H3.
What are the key properties of 4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol?
4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol has a molecular weight of 155.24 g/mol, XLogP of 1.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol is sourced from PubChem (CID 118190574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).