(2Z)-3-amino-2-ethylpenta-2,4-diene-1,1,1-triol

C7H13NO3 — CID 139404872

IUPAC(2Z)-3-amino-2-ethylpenta-2,4-diene-1,1,1-triol
SMILESC=C/C(N)=C(\CC)C(O)(O)O
InChIInChI=1S/C7H13NO3/c1-3-5(6(8)4-2)7(9,10)11/h4,9-11H,2-3,8H2,1H3/b6-5-
InChIKeyDVXLNYKARLFNEC-WAYWQWQTSA-N
MW159.19 g/mol
LogP-0.57
Rot. Bonds3

About (2Z)-3-amino-2-ethylpenta-2,4-diene-1,1,1-triol

(2Z)-3-amino-2-ethylpenta-2,4-diene-1,1,1-triol (PubChem CID 139404872) has the molecular formula C7H13NO3 and a molecular weight of 159.19 g/mol. Its IUPAC name is (2Z)-3-amino-2-ethylpenta-2,4-diene-1,1,1-triol.

Molecular Properties

Compound Name(2Z)-3-amino-2-ethylpenta-2,4-diene-1,1,1-triol
PubChem CID139404872
Molecular FormulaC7H13NO3
Molecular Weight159.19 g/mol
Exact Mass159.09
IUPAC Name(2Z)-3-amino-2-ethylpenta-2,4-diene-1,1,1-triol
SMILESC=C/C(N)=C(\CC)C(O)(O)O
InChIInChI=1S/C7H13NO3/c1-3-5(6(8)4-2)7(9,10)11/h4,9-11H,2-3,8H2,1H3/b6-5-
InChIKeyDVXLNYKARLFNEC-WAYWQWQTSA-N
XLogP-0.57
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.19
LogP ≤ 5-0.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

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(Z)-3,4-diethyl-2,2,5,5-tetramethylhex-3-ene
CID 3036401
3,3-dimethylpentane;bis(2-methylbuta-1,3-diene)
CID 160814683
(3Z)-4-ethenyl-5-methylhepta-1,3-dien-3-amine
CID 155693335
(3E,5Z)-4-tert-butylnona-1,3,5-trien-3-amine
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ethane;ethene;(2Z)-penta-2,4-diene-2,3-diamine
CID 142059909
CID 172708986
CID 172708986
(3E,5Z)-4-methylnona-1,3,5-trien-3-amine
CID 126687303
2-(1-aminoprop-2-enylidene)propanedinitrile
CID 18620400
4-prop-2-enylhepta-1,3,6-trien-3-amine
CID 174731019
(3Z)-4-bromohexa-1,3,5-trien-3-amine;ethane
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3-methylidenepent-1-ene
CID 18850

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-amino-2-ethylpenta-2,4-diene-1,1,1-triol?
The IUPAC name of (2Z)-3-amino-2-ethylpenta-2,4-diene-1,1,1-triol (CID 139404872) is (2Z)-3-amino-2-ethylpenta-2,4-diene-1,1,1-triol.
What is the SMILES notation for (2Z)-3-amino-2-ethylpenta-2,4-diene-1,1,1-triol?
The canonical SMILES for (2Z)-3-amino-2-ethylpenta-2,4-diene-1,1,1-triol is C=C/C(N)=C(\CC)C(O)(O)O.
What is the InChIKey of (2Z)-3-amino-2-ethylpenta-2,4-diene-1,1,1-triol?
The InChIKey is DVXLNYKARLFNEC-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H13NO3/c1-3-5(6(8)4-2)7(9,10)11/h4,9-11H,2-3,8H2,1H3/b6-5-.
What are the key properties of (2Z)-3-amino-2-ethylpenta-2,4-diene-1,1,1-triol?
(2Z)-3-amino-2-ethylpenta-2,4-diene-1,1,1-triol has a molecular weight of 159.19 g/mol, XLogP of -0.57, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-amino-2-ethylpenta-2,4-diene-1,1,1-triol is sourced from PubChem (CID 139404872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).