(1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-ol

C11H17NO — CID 134966485

IUPAC(1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-ol
SMILESCC/C(O)=C1\C=CC=C1CN(C)C
InChIInChI=1S/C11H17NO/c1-4-11(13)10-7-5-6-9(10)8-12(2)3/h5-7,13H,4,8H2,1-3H3/b11-10-
InChIKeyNTFQRIQMIPENCP-KHPPLWFESA-N
MW179.26 g/mol
LogP2.27
Rot. Bonds3

About (1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-ol

(1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-ol (PubChem CID 134966485) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-ol.

Molecular Properties

Compound Name(1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-ol
PubChem CID134966485
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-ol
SMILESCC/C(O)=C1\C=CC=C1CN(C)C
InChIInChI=1S/C11H17NO/c1-4-11(13)10-7-5-6-9(10)8-12(2)3/h5-7,13H,4,8H2,1-3H3/b11-10-
InChIKeyNTFQRIQMIPENCP-KHPPLWFESA-N
XLogP2.27
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.27
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

(Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-olate
CID 134965715
(1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-olate
CID 134966484
2,6-Bis[(dimethylamino)methyl]-6-methylcyclohexa-1,3-dien-1-ol
CID 69993008
(4E)-4-methyl-6-[[methyl(propyl)amino]methyl]hepta-1,4,6-trien-2-ol
CID 89659199
(2E)-4-[(dimethylamino)methyl]penta-2,4-dien-2-ol
CID 132096079
(E)-4-[2-methylpropyl-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]amino]but-2-en-2-ol
CID 143115661
(2E,4Z)-5-(1,4-dimethyl-2,3-dihydropyrrol-5-yl)penta-2,4-dien-2-ol
CID 143911361
2-[(Dimethylamino)methyl]cyclohexa-1,3-dien-1-ol
CID 145025621
4-[2-(Dimethylamino)ethyl]cyclohepta-1,3,5-trien-1-ol
CID 145631408
(3Z,8E,11S)-11-(dimethylamino)-3-methyldodeca-3,6,8-trien-4-ol
CID 166671625
(E)-1-[(2E)-2-[(Z)-but-2-enylidene]-3-ethenyl-4-methyl-1-propyl-3H-pyrrol-5-yl]-3-methylbut-1-en-2-ol
CID 167158779
1-Cyclopenta-2,4-dien-1-ylidene-3-(diethylamino)propan-1-ol
CID 49874095

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-ol?
The IUPAC name of (1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-ol (CID 134966485) is (1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-ol.
What is the SMILES notation for (1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-ol?
The canonical SMILES for (1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-ol is CC/C(O)=C1\C=CC=C1CN(C)C.
What is the InChIKey of (1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-ol?
The InChIKey is NTFQRIQMIPENCP-KHPPLWFESA-N. The full InChI is InChI=1S/C11H17NO/c1-4-11(13)10-7-5-6-9(10)8-12(2)3/h5-7,13H,4,8H2,1-3H3/b11-10-.
What are the key properties of (1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-ol?
(1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-ol has a molecular weight of 179.26 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-ol is sourced from PubChem (CID 134966485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).