[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]methanol

C9H13NO — CID 73169110

IUPAC[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]methanol
SMILESCN(C)CC1=CC=CC1=CO
InChIInChI=1S/C9H13NO/c1-10(2)6-8-4-3-5-9(8)7-11/h3-5,7,11H,6H2,1-2H3
InChIKeyQIVIRRKTMHKEEP-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.49
Rot. Bonds2

About [2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]methanol

[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]methanol (PubChem CID 73169110) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is [2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]methanol.

Molecular Properties

Compound Name[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]methanol
PubChem CID73169110
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]methanol
SMILESCN(C)CC1=CC=CC1=CO
InChIInChI=1S/C9H13NO/c1-10(2)6-8-4-3-5-9(8)7-11/h3-5,7,11H,6H2,1-2H3
InChIKeyQIVIRRKTMHKEEP-UHFFFAOYSA-N
XLogP1.49
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

(1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-olate
CID 134966484
(1E,3Z,5E)-8-(dipropylamino)-4-ethyl-5-fluoro-6-methylocta-1,3,5-trien-1-ol
CID 144704334
(E)-[(4Z)-4-[3-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]-2-fluorocyclohexa-2,5-dien-1-ylidene]methanol
CID 168011183
1-[methyl-[(4E,6E)-octa-4,6-dienyl]amino]ethanol
CID 87095725
1-[ethyl-[(4E,6E)-octa-4,6-dienyl]amino]ethanol
CID 87095833
(E)-[4-(dimethylamino)-3-ethenyl-2-methylcyclohexa-2,5-dien-1-ylidene]methanol
CID 134404987
ethane;2-[[(3Z,5Z)-3-ethenylhepta-3,5-dienyl]-ethylamino]ethanol
CID 143063184
2-[methyl-[(3Z,4Z,6Z)-3-prop-2-enylideneocta-4,6-dienyl]amino]ethanol
CID 143653662
2-[[(2E)-2-ethylpenta-2,4-dienyl]-methylamino]ethanol
CID 145095382
1-[Methyl(octa-4,6-dienyl)amino]ethanol
CID 154086212
1-[Ethyl(octa-4,6-dienyl)amino]ethanol
CID 154184237
1-(3,8-dihydro-1H-cyclohepta[c]pyrrol-2-yl)ethanol
CID 163835812

Frequently Asked Questions

What is the IUPAC name of [2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]methanol?
The IUPAC name of [2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]methanol (CID 73169110) is [2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]methanol.
What is the SMILES notation for [2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]methanol?
The canonical SMILES for [2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]methanol is CN(C)CC1=CC=CC1=CO.
What is the InChIKey of [2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]methanol?
The InChIKey is QIVIRRKTMHKEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-10(2)6-8-4-3-5-9(8)7-11/h3-5,7,11H,6H2,1-2H3.
What are the key properties of [2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]methanol?
[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]methanol has a molecular weight of 151.21 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]methanol is sourced from PubChem (CID 73169110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).