(1R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopent-2-en-1-ol

C9H17NO — CID 131134254

IUPAC(1R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopent-2-en-1-ol
SMILESCC1=C[C@H](CN(C)C)C[C@H]1O
InChIInChI=1S/C9H17NO/c1-7-4-8(5-9(7)11)6-10(2)3/h4,8-9,11H,5-6H2,1-3H3/t8-,9+/m0/s1
InChIKeyKUIFEKDAXYALCI-DTWKUNHWSA-N
MW155.24 g/mol
LogP0.88
Rot. Bonds2

About (1R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopent-2-en-1-ol

(1R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopent-2-en-1-ol (PubChem CID 131134254) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (1R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopent-2-en-1-ol.

Molecular Properties

Compound Name(1R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopent-2-en-1-ol
PubChem CID131134254
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(1R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopent-2-en-1-ol
SMILESCC1=C[C@H](CN(C)C)C[C@H]1O
InChIInChI=1S/C9H17NO/c1-7-4-8(5-9(7)11)6-10(2)3/h4,8-9,11H,5-6H2,1-3H3/t8-,9+/m0/s1
InChIKeyKUIFEKDAXYALCI-DTWKUNHWSA-N
XLogP0.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.88
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

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(2E,5E)-4-[3-(dimethylamino)propyl]-3,5-dimethylhepta-2,5-dien-4-ol
CID 19608992
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 (1R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopent-2-en-1-ol?
The IUPAC name of (1R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopent-2-en-1-ol (CID 131134254) is (1R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopent-2-en-1-ol.
What is the SMILES notation for (1R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopent-2-en-1-ol?
The canonical SMILES for (1R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopent-2-en-1-ol is CC1=C[C@H](CN(C)C)C[C@H]1O.
What is the InChIKey of (1R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopent-2-en-1-ol?
The InChIKey is KUIFEKDAXYALCI-DTWKUNHWSA-N. The full InChI is InChI=1S/C9H17NO/c1-7-4-8(5-9(7)11)6-10(2)3/h4,8-9,11H,5-6H2,1-3H3/t8-,9+/m0/s1.
What are the key properties of (1R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopent-2-en-1-ol?
(1R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopent-2-en-1-ol has a molecular weight of 155.24 g/mol, XLogP of 0.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-4-[(dimethylamino)methyl]-2-methylcyclopent-2-en-1-ol is sourced from PubChem (CID 131134254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).