(3S)-1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-3-ol

C9H15NO — CID 146660208

IUPAC(3S)-1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-3-ol
SMILESO[C@H]1C=CCN(CC2CC2)C1
InChIInChI=1S/C9H15NO/c11-9-2-1-5-10(7-9)6-8-3-4-8/h1-2,8-9,11H,3-7H2/t9-/m0/s1
InChIKeyNIPUADPITGDKAQ-VIFPVBQESA-N
MW153.23 g/mol
LogP0.63
Rot. Bonds2

About (3S)-1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-3-ol

(3S)-1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-3-ol (PubChem CID 146660208) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is (3S)-1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-3-ol.

Molecular Properties

Compound Name(3S)-1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-3-ol
PubChem CID146660208
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name(3S)-1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-3-ol
SMILESO[C@H]1C=CCN(CC2CC2)C1
InChIInChI=1S/C9H15NO/c11-9-2-1-5-10(7-9)6-8-3-4-8/h1-2,8-9,11H,3-7H2/t9-/m0/s1
InChIKeyNIPUADPITGDKAQ-VIFPVBQESA-N
XLogP0.63
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(furan-3-ylmethyl)-3,6-dihydro-2H-pyridin-3-ol
CID 146628687
(3S,4S)-1-(cyclopropylmethyl)pyrrolidine-3,4-dicarboxylic acid
CID 164643865
1-(cyclopropylmethyl)piperidin-4-ol
CID 21428752
4-[(3-phenylazetidin-1-yl)methyl]cyclohexan-1-ol
CID 106131728
3-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol
CID 106131669
(3S,4S)-1-(cyclopentylmethyl)-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120954258
1-(cyclopropylmethyl)-3-fluoroazetidine
CID 131037044
(3S,5R)-1-(cyclopropylmethyl)-5-methylpiperidin-3-ol
CID 130856207
(3S,5S)-1-(cyclopropylmethyl)-5-ethylpiperidin-3-ol
CID 138739789
(3S,5R)-1-[[4-(2-fluoropropan-2-yl)cyclohexyl]methyl]piperidine-3,4,5-triol
CID 166834305
2-(2,5-dihydropyrrol-1-ylmethyl)cyclohexan-1-ol
CID 104549743
1-(cyclopentylmethyl)pyrrolidin-3-ol
CID 62916815

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-3-ol?
The IUPAC name of (3S)-1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-3-ol (CID 146660208) is (3S)-1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-3-ol.
What is the SMILES notation for (3S)-1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-3-ol?
The canonical SMILES for (3S)-1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-3-ol is O[C@H]1C=CCN(CC2CC2)C1.
What is the InChIKey of (3S)-1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-3-ol?
The InChIKey is NIPUADPITGDKAQ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H15NO/c11-9-2-1-5-10(7-9)6-8-3-4-8/h1-2,8-9,11H,3-7H2/t9-/m0/s1.
What are the key properties of (3S)-1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-3-ol?
(3S)-1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-3-ol has a molecular weight of 153.23 g/mol, XLogP of 0.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(cyclopropylmethyl)-3,6-dihydro-2H-pyridin-3-ol is sourced from PubChem (CID 146660208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).