4-[1-[but-3-enyl(propyl)amino]ethenyl]cyclohexa-1,3-dien-1-ol

C15H23NO — CID 163859776

IUPAC4-[1-[but-3-enyl(propyl)amino]ethenyl]cyclohexa-1,3-dien-1-ol
SMILESC=CCCN(CCC)C(=C)C1=CC=C(O)CC1
InChIInChI=1S/C15H23NO/c1-4-6-12-16(11-5-2)13(3)14-7-9-15(17)10-8-14/h4,7,9,17H,1,3,5-6,8,10-12H2,2H3
InChIKeyPBLPTLWRSAODQC-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.95
Rot. Bonds7

About 4-[1-[but-3-enyl(propyl)amino]ethenyl]cyclohexa-1,3-dien-1-ol

4-[1-[but-3-enyl(propyl)amino]ethenyl]cyclohexa-1,3-dien-1-ol (PubChem CID 163859776) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 4-[1-[but-3-enyl(propyl)amino]ethenyl]cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name4-[1-[but-3-enyl(propyl)amino]ethenyl]cyclohexa-1,3-dien-1-ol
PubChem CID163859776
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name4-[1-[but-3-enyl(propyl)amino]ethenyl]cyclohexa-1,3-dien-1-ol
SMILESC=CCCN(CCC)C(=C)C1=CC=C(O)CC1
InChIInChI=1S/C15H23NO/c1-4-6-12-16(11-5-2)13(3)14-7-9-15(17)10-8-14/h4,7,9,17H,1,3,5-6,8,10-12H2,2H3
InChIKeyPBLPTLWRSAODQC-UHFFFAOYSA-N
XLogP3.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.95
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

5,6-Di(ethylidene)-1-methylpiperidin-2-ol
CID 123615765
1-(1-ethyl-6-methyl-3,4-dihydro-2H-pyridin-5-yl)ethenol
CID 138474781
(1Z)-2-methylidene-1-(1-methyl-2-methylidenepiperidin-3-ylidene)pentan-1-ol
CID 138567159
(2E,7E)-7-[chloro(ethyl)amino]-4-methyl-6-methylidenedeca-2,7-dien-3-ol
CID 138725675
2-methyl-3,4,7,8-tetrahydro-1H-isoquinolin-6-ol
CID 144441576
3-(1-pentyl-2H-pyridin-3-yl)propan-1-ol
CID 149737669
5-(Dimethylamino)-1,8a-dihydronaphthalen-2-ol
CID 156426675

Frequently Asked Questions

What is the IUPAC name of 4-[1-[but-3-enyl(propyl)amino]ethenyl]cyclohexa-1,3-dien-1-ol?
The IUPAC name of 4-[1-[but-3-enyl(propyl)amino]ethenyl]cyclohexa-1,3-dien-1-ol (CID 163859776) is 4-[1-[but-3-enyl(propyl)amino]ethenyl]cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 4-[1-[but-3-enyl(propyl)amino]ethenyl]cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 4-[1-[but-3-enyl(propyl)amino]ethenyl]cyclohexa-1,3-dien-1-ol is C=CCCN(CCC)C(=C)C1=CC=C(O)CC1.
What is the InChIKey of 4-[1-[but-3-enyl(propyl)amino]ethenyl]cyclohexa-1,3-dien-1-ol?
The InChIKey is PBLPTLWRSAODQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-4-6-12-16(11-5-2)13(3)14-7-9-15(17)10-8-14/h4,7,9,17H,1,3,5-6,8,10-12H2,2H3.
What are the key properties of 4-[1-[but-3-enyl(propyl)amino]ethenyl]cyclohexa-1,3-dien-1-ol?
4-[1-[but-3-enyl(propyl)amino]ethenyl]cyclohexa-1,3-dien-1-ol has a molecular weight of 233.35 g/mol, XLogP of 3.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[but-3-enyl(propyl)amino]ethenyl]cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 163859776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).