(2E,4E)-5-(3-aminocyclobutyl)hexa-2,4-dien-2-ol

C10H17NO — CID 153355576

IUPAC(2E,4E)-5-(3-aminocyclobutyl)hexa-2,4-dien-2-ol
SMILESC/C(O)=C\C=C(/C)C1CC(N)C1
InChIInChI=1S/C10H17NO/c1-7(3-4-8(2)12)9-5-10(11)6-9/h3-4,9-10,12H,5-6,11H2,1-2H3/b7-3+,8-4+
InChIKeyVFFDPLBIUBRHQI-FCXRPNKRSA-N
MW167.25 g/mol
LogP2.13
Rot. Bonds2

About (2E,4E)-5-(3-aminocyclobutyl)hexa-2,4-dien-2-ol

(2E,4E)-5-(3-aminocyclobutyl)hexa-2,4-dien-2-ol (PubChem CID 153355576) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2E,4E)-5-(3-aminocyclobutyl)hexa-2,4-dien-2-ol.

Molecular Properties

Compound Name(2E,4E)-5-(3-aminocyclobutyl)hexa-2,4-dien-2-ol
PubChem CID153355576
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2E,4E)-5-(3-aminocyclobutyl)hexa-2,4-dien-2-ol
SMILESC/C(O)=C\C=C(/C)C1CC(N)C1
InChIInChI=1S/C10H17NO/c1-7(3-4-8(2)12)9-5-10(11)6-9/h3-4,9-10,12H,5-6,11H2,1-2H3/b7-3+,8-4+
InChIKeyVFFDPLBIUBRHQI-FCXRPNKRSA-N
XLogP2.13
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E,4E)-5-(3-aminocyclobutyl)hexa-2,4-dien-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2E,4E)-5-(3-aminocyclobutyl)hexa-2,4-dien-2-ol?
The IUPAC name of (2E,4E)-5-(3-aminocyclobutyl)hexa-2,4-dien-2-ol (CID 153355576) is (2E,4E)-5-(3-aminocyclobutyl)hexa-2,4-dien-2-ol.
What is the SMILES notation for (2E,4E)-5-(3-aminocyclobutyl)hexa-2,4-dien-2-ol?
The canonical SMILES for (2E,4E)-5-(3-aminocyclobutyl)hexa-2,4-dien-2-ol is C/C(O)=C\C=C(/C)C1CC(N)C1.
What is the InChIKey of (2E,4E)-5-(3-aminocyclobutyl)hexa-2,4-dien-2-ol?
The InChIKey is VFFDPLBIUBRHQI-FCXRPNKRSA-N. The full InChI is InChI=1S/C10H17NO/c1-7(3-4-8(2)12)9-5-10(11)6-9/h3-4,9-10,12H,5-6,11H2,1-2H3/b7-3+,8-4+.
What are the key properties of (2E,4E)-5-(3-aminocyclobutyl)hexa-2,4-dien-2-ol?
(2E,4E)-5-(3-aminocyclobutyl)hexa-2,4-dien-2-ol has a molecular weight of 167.25 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4E)-5-(3-aminocyclobutyl)hexa-2,4-dien-2-ol is sourced from PubChem (CID 153355576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).