6-(2,3-diaminoprop-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol

C11H16N2O — CID 175243834

IUPAC6-(2,3-diaminoprop-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol
SMILESCC=C1C=C(C=C(N)CN)C(O)=CC1
InChIInChI=1S/C11H16N2O/c1-2-8-3-4-11(14)9(5-8)6-10(13)7-12/h2,4-6,14H,3,7,12-13H2,1H3
InChIKeyUAWXPIVSPRJLKS-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.51
Rot. Bonds2

About 6-(2,3-diaminoprop-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol

6-(2,3-diaminoprop-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol (PubChem CID 175243834) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 6-(2,3-diaminoprop-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol.

Molecular Properties

Compound Name6-(2,3-diaminoprop-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol
PubChem CID175243834
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name6-(2,3-diaminoprop-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol
SMILESCC=C1C=C(C=C(N)CN)C(O)=CC1
InChIInChI=1S/C11H16N2O/c1-2-8-3-4-11(14)9(5-8)6-10(13)7-12/h2,4-6,14H,3,7,12-13H2,1H3
InChIKeyUAWXPIVSPRJLKS-UHFFFAOYSA-N
XLogP1.51
TPSA72.27 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-diaminoprop-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol?
The IUPAC name of 6-(2,3-diaminoprop-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol (CID 175243834) is 6-(2,3-diaminoprop-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol.
What is the SMILES notation for 6-(2,3-diaminoprop-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol?
The canonical SMILES for 6-(2,3-diaminoprop-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol is CC=C1C=C(C=C(N)CN)C(O)=CC1.
What is the InChIKey of 6-(2,3-diaminoprop-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol?
The InChIKey is UAWXPIVSPRJLKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-2-8-3-4-11(14)9(5-8)6-10(13)7-12/h2,4-6,14H,3,7,12-13H2,1H3.
What are the key properties of 6-(2,3-diaminoprop-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol?
6-(2,3-diaminoprop-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol has a molecular weight of 192.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-diaminoprop-1-enyl)-4-ethylidenecyclohexa-1,5-dien-1-ol is sourced from PubChem (CID 175243834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).