ethane;5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-ol

C12H17NO — CID 142102440

IUPACethane;5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-ol
SMILESC=C1C=CC=C(O)/C1=N/C=C\C.CC
InChIInChI=1S/C10H11NO.C2H6/c1-3-7-11-10-8(2)5-4-6-9(10)12;1-2/h3-7,12H,2H2,1H3;1-2H3/b7-3-,11-10+;
InChIKeyDYBPMKTVMGBMJY-OULJYMEZSA-N
MW191.27 g/mol
LogP3.56
Rot. Bonds1

About ethane;5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-ol

ethane;5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-ol (PubChem CID 142102440) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is ethane;5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-ol.

Molecular Properties

Compound Nameethane;5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-ol
PubChem CID142102440
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Nameethane;5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-ol
SMILESC=C1C=CC=C(O)/C1=N/C=C\C.CC
InChIInChI=1S/C10H11NO.C2H6/c1-3-7-11-10-8(2)5-4-6-9(10)12;1-2/h3-7,12H,2H2,1H3;1-2H3/b7-3-,11-10+;
InChIKeyDYBPMKTVMGBMJY-OULJYMEZSA-N
XLogP3.56
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-ol?
The IUPAC name of ethane;5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-ol (CID 142102440) is ethane;5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-ol.
What is the SMILES notation for ethane;5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-ol?
The canonical SMILES for ethane;5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-ol is C=C1C=CC=C(O)/C1=N/C=C\C.CC.
What is the InChIKey of ethane;5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-ol?
The InChIKey is DYBPMKTVMGBMJY-OULJYMEZSA-N. The full InChI is InChI=1S/C10H11NO.C2H6/c1-3-7-11-10-8(2)5-4-6-9(10)12;1-2/h3-7,12H,2H2,1H3;1-2H3/b7-3-,11-10+;.
What are the key properties of ethane;5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-ol?
ethane;5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-ol has a molecular weight of 191.27 g/mol, XLogP of 3.56, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-methylidene-6-[(Z)-prop-1-enyl]iminocyclohexa-1,3-dien-1-ol is sourced from PubChem (CID 142102440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).