6-[[bis(prop-2-enyl)amino]methylidene]cyclohexa-1,3-dien-1-ol

C13H17NO — CID 87699094

IUPAC6-[[bis(prop-2-enyl)amino]methylidene]cyclohexa-1,3-dien-1-ol
SMILESC=CCN(C=C1CC=CC=C1O)CC=C
InChIInChI=1S/C13H17NO/c1-3-9-14(10-4-2)11-12-7-5-6-8-13(12)15/h3-6,8,11,15H,1-2,7,9-10H2
InChIKeySXEADJRTYHTNFR-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.95
Rot. Bonds5

About 6-[[bis(prop-2-enyl)amino]methylidene]cyclohexa-1,3-dien-1-ol

6-[[bis(prop-2-enyl)amino]methylidene]cyclohexa-1,3-dien-1-ol (PubChem CID 87699094) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 6-[[bis(prop-2-enyl)amino]methylidene]cyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Name6-[[bis(prop-2-enyl)amino]methylidene]cyclohexa-1,3-dien-1-ol
PubChem CID87699094
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name6-[[bis(prop-2-enyl)amino]methylidene]cyclohexa-1,3-dien-1-ol
SMILESC=CCN(C=C1CC=CC=C1O)CC=C
InChIInChI=1S/C13H17NO/c1-3-9-14(10-4-2)11-12-7-5-6-8-13(12)15/h3-6,8,11,15H,1-2,7,9-10H2
InChIKeySXEADJRTYHTNFR-UHFFFAOYSA-N
XLogP2.95
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[[bis(prop-2-enyl)amino]methylidene]cyclohexa-1,3-dien-1-ol?
The IUPAC name of 6-[[bis(prop-2-enyl)amino]methylidene]cyclohexa-1,3-dien-1-ol (CID 87699094) is 6-[[bis(prop-2-enyl)amino]methylidene]cyclohexa-1,3-dien-1-ol.
What is the SMILES notation for 6-[[bis(prop-2-enyl)amino]methylidene]cyclohexa-1,3-dien-1-ol?
The canonical SMILES for 6-[[bis(prop-2-enyl)amino]methylidene]cyclohexa-1,3-dien-1-ol is C=CCN(C=C1CC=CC=C1O)CC=C.
What is the InChIKey of 6-[[bis(prop-2-enyl)amino]methylidene]cyclohexa-1,3-dien-1-ol?
The InChIKey is SXEADJRTYHTNFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-3-9-14(10-4-2)11-12-7-5-6-8-13(12)15/h3-6,8,11,15H,1-2,7,9-10H2.
What are the key properties of 6-[[bis(prop-2-enyl)amino]methylidene]cyclohexa-1,3-dien-1-ol?
6-[[bis(prop-2-enyl)amino]methylidene]cyclohexa-1,3-dien-1-ol has a molecular weight of 203.28 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[bis(prop-2-enyl)amino]methylidene]cyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 87699094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).