(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'}

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Related Compounds

(2E,4Z)-5-amino-5-cyclohexylpenta-2,4-dien-2-ol
CID 142908016
3-amino-5-formylcyclohexane-1-carboxylic acid
CID 59928005
(3E)-penta-1,3-diene-1,1,4-triol
CID 167098733
5-methylhexa-2,4-dien-2-ol
CID 173388590
1-(3-aminocyclobutyl)-2,2-dimethylpropan-1-one
CID 116917647
1-[(1R,3S)-3-aminocyclopentyl]ethanone
CID 59688992
1-[(1R,3R)-3-aminocyclopentyl]ethanone
CID 59689000
8-(3-methylbut-2-enyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 61234446
1-(3-aminocyclobutyl)-2-ethoxyethanone
CID 165469777
(3E,5E)-6-cyclohexylhepta-1,3,5-trien-3-ol
CID 88877979
formic acid;3-methylcyclobutan-1-amine
CID 175472209
1-acetyl-5-aminopiperidine-3-carboxylic acid
CID 83989133

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).