[(1S,4R)-4-hydroxy-3-methylcyclopent-2-en-1-yl]methyl-trimethylazanium

C10H20NO+ — CID 21121722

IUPAC[(1S,4R)-4-hydroxy-3-methylcyclopent-2-en-1-yl]methyl-trimethylazanium
SMILESCC1=C[C@@H](C[N+](C)(C)C)C[C@H]1O
InChIInChI=1S/C10H20NO/c1-8-5-9(6-10(8)12)7-11(2,3)4/h5,9-10,12H,6-7H2,1-4H3/q+1/t9-,10-/m1/s1
InChIKeyDFILYFKEBJLOPK-NXEZZACHSA-N
MW170.28 g/mol
LogP1.02
Rot. Bonds2

About [(1S,4R)-4-hydroxy-3-methylcyclopent-2-en-1-yl]methyl-trimethylazanium

[(1S,4R)-4-hydroxy-3-methylcyclopent-2-en-1-yl]methyl-trimethylazanium (PubChem CID 21121722) has the molecular formula C10H20NO+ and a molecular weight of 170.28 g/mol. Its IUPAC name is [(1S,4R)-4-hydroxy-3-methylcyclopent-2-en-1-yl]methyl-trimethylazanium.

Molecular Properties

Compound Name[(1S,4R)-4-hydroxy-3-methylcyclopent-2-en-1-yl]methyl-trimethylazanium
PubChem CID21121722
Molecular FormulaC10H20NO+
Molecular Weight170.28 g/mol
Exact Mass170.15
IUPAC Name[(1S,4R)-4-hydroxy-3-methylcyclopent-2-en-1-yl]methyl-trimethylazanium
SMILESCC1=C[C@@H](C[N+](C)(C)C)C[C@H]1O
InChIInChI=1S/C10H20NO/c1-8-5-9(6-10(8)12)7-11(2,3)4/h5,9-10,12H,6-7H2,1-4H3/q+1/t9-,10-/m1/s1
InChIKeyDFILYFKEBJLOPK-NXEZZACHSA-N
XLogP1.02
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.28
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Related Compounds

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(2E,5E)-4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol
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4-[3-(Dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol
CID 54533672
3-[4-(Dimethylamino)-2-ethylbutyl]-6-methylcyclohexa-2,4-dien-1-ol
CID 71286528
1-ethyl-4-propan-2-yl-3,6-dihydro-2H-pyridin-3-ol
CID 118190699
(1R,6R)-6-[(dimethylamino)methyl]cyclohex-2-en-1-ol
CID 129303279
(3Z,8E)-1-ethyl-3-methyl-1-azacyclotetradeca-3,8-dien-7-ol
CID 144515532
(2Z,5E)-4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol
CID 145753766
(1S,4R)-4-[2-(diethylamino)ethyl]cyclopent-2-en-1-ol
CID 175745704
5-[1-(Dimethylamino)ethyl]cyclohex-2-en-1-ol
CID 176232830
[(1R,4S)-4-hydroxy-3-methylcyclopent-2-en-1-yl]methyl-trimethylazanium
CID 3036159

Frequently Asked Questions

What is the IUPAC name of [(1S,4R)-4-hydroxy-3-methylcyclopent-2-en-1-yl]methyl-trimethylazanium?
The IUPAC name of [(1S,4R)-4-hydroxy-3-methylcyclopent-2-en-1-yl]methyl-trimethylazanium (CID 21121722) is [(1S,4R)-4-hydroxy-3-methylcyclopent-2-en-1-yl]methyl-trimethylazanium.
What is the SMILES notation for [(1S,4R)-4-hydroxy-3-methylcyclopent-2-en-1-yl]methyl-trimethylazanium?
The canonical SMILES for [(1S,4R)-4-hydroxy-3-methylcyclopent-2-en-1-yl]methyl-trimethylazanium is CC1=C[C@@H](C[N+](C)(C)C)C[C@H]1O.
What is the InChIKey of [(1S,4R)-4-hydroxy-3-methylcyclopent-2-en-1-yl]methyl-trimethylazanium?
The InChIKey is DFILYFKEBJLOPK-NXEZZACHSA-N. The full InChI is InChI=1S/C10H20NO/c1-8-5-9(6-10(8)12)7-11(2,3)4/h5,9-10,12H,6-7H2,1-4H3/q+1/t9-,10-/m1/s1.
What are the key properties of [(1S,4R)-4-hydroxy-3-methylcyclopent-2-en-1-yl]methyl-trimethylazanium?
[(1S,4R)-4-hydroxy-3-methylcyclopent-2-en-1-yl]methyl-trimethylazanium has a molecular weight of 170.28 g/mol, XLogP of 1.02, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,4R)-4-hydroxy-3-methylcyclopent-2-en-1-yl]methyl-trimethylazanium is sourced from PubChem (CID 21121722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).