(2E,4Z)-5-(1,4-dimethyl-2,3-dihydropyrrol-5-yl)penta-2,4-dien-2-ol

C11H17NO — CID 143911361

IUPAC(2E,4Z)-5-(1,4-dimethyl-2,3-dihydropyrrol-5-yl)penta-2,4-dien-2-ol
SMILESCC1=C(/C=C\C=C(/C)O)N(C)CC1
InChIInChI=1S/C11H17NO/c1-9-7-8-12(3)11(9)6-4-5-10(2)13/h4-6,13H,7-8H2,1-3H3/b6-4-,10-5+
InChIKeyIOPDPNDFYPJTCL-KNVSICBPSA-N
MW179.26 g/mol
LogP2.61
Rot. Bonds2

About (2E,4Z)-5-(1,4-dimethyl-2,3-dihydropyrrol-5-yl)penta-2,4-dien-2-ol

(2E,4Z)-5-(1,4-dimethyl-2,3-dihydropyrrol-5-yl)penta-2,4-dien-2-ol (PubChem CID 143911361) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (2E,4Z)-5-(1,4-dimethyl-2,3-dihydropyrrol-5-yl)penta-2,4-dien-2-ol.

Molecular Properties

Compound Name(2E,4Z)-5-(1,4-dimethyl-2,3-dihydropyrrol-5-yl)penta-2,4-dien-2-ol
PubChem CID143911361
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(2E,4Z)-5-(1,4-dimethyl-2,3-dihydropyrrol-5-yl)penta-2,4-dien-2-ol
SMILESCC1=C(/C=C\C=C(/C)O)N(C)CC1
InChIInChI=1S/C11H17NO/c1-9-7-8-12(3)11(9)6-4-5-10(2)13/h4-6,13H,7-8H2,1-3H3/b6-4-,10-5+
InChIKeyIOPDPNDFYPJTCL-KNVSICBPSA-N
XLogP2.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', '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
4-methoxy-N,3-dimethyl-N-penta-1,3-dien-2-ylpent-3-en-1-amine
CID 123491650
(E)-4-[2-methylpropyl-[(2E,4Z)-2-[(Z)-prop-1-enyl]hexa-2,4-dienyl]amino]but-2-en-2-ol
CID 143115661
1-[[(2S)-butan-2-yl]-[(3E,5Z)-2,5-dimethylhepta-1,3,5-trien-3-yl]amino]ethenol
CID 143844577
(2Z)-3-[[propan-2-yl(prop-2-enyl)amino]methyl]penta-2,4-dien-2-ol
CID 146259242
(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
(3E,5E,6Z)-2-[butyl(methyl)amino]-5-ethylidenenona-1,3,6,8-tetraen-4-ol
CID 169879272
1,4-dimethyl-5-[(1Z)-2-methylbuta-1,3-dienyl]-2,3-dihydropyrrole;ethane
CID 178086643
1-Cyclopenta-2,4-dien-1-ylidene-3-(diethylamino)propan-1-ol
CID 49874095
Cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanol
CID 134856977
(Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-ol
CID 134965716
(1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-ol
CID 134966485

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-5-(1,4-dimethyl-2,3-dihydropyrrol-5-yl)penta-2,4-dien-2-ol?
The IUPAC name of (2E,4Z)-5-(1,4-dimethyl-2,3-dihydropyrrol-5-yl)penta-2,4-dien-2-ol (CID 143911361) is (2E,4Z)-5-(1,4-dimethyl-2,3-dihydropyrrol-5-yl)penta-2,4-dien-2-ol.
What is the SMILES notation for (2E,4Z)-5-(1,4-dimethyl-2,3-dihydropyrrol-5-yl)penta-2,4-dien-2-ol?
The canonical SMILES for (2E,4Z)-5-(1,4-dimethyl-2,3-dihydropyrrol-5-yl)penta-2,4-dien-2-ol is CC1=C(/C=C\C=C(/C)O)N(C)CC1.
What is the InChIKey of (2E,4Z)-5-(1,4-dimethyl-2,3-dihydropyrrol-5-yl)penta-2,4-dien-2-ol?
The InChIKey is IOPDPNDFYPJTCL-KNVSICBPSA-N. The full InChI is InChI=1S/C11H17NO/c1-9-7-8-12(3)11(9)6-4-5-10(2)13/h4-6,13H,7-8H2,1-3H3/b6-4-,10-5+.
What are the key properties of (2E,4Z)-5-(1,4-dimethyl-2,3-dihydropyrrol-5-yl)penta-2,4-dien-2-ol?
(2E,4Z)-5-(1,4-dimethyl-2,3-dihydropyrrol-5-yl)penta-2,4-dien-2-ol has a molecular weight of 179.26 g/mol, XLogP of 2.61, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-5-(1,4-dimethyl-2,3-dihydropyrrol-5-yl)penta-2,4-dien-2-ol is sourced from PubChem (CID 143911361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).