(2Z)-3-amino-4-methylpenta-2,4-dien-2-ol

C6H11NO — CID 143962844

IUPAC(2Z)-3-amino-4-methylpenta-2,4-dien-2-ol
SMILESC=C(C)/C(N)=C(\C)O
InChIInChI=1S/C6H11NO/c1-4(2)6(7)5(3)8/h8H,1,7H2,2-3H3/b6-5-
InChIKeyGUTZUBVFQSFQRR-WAYWQWQTSA-N
MW113.16 g/mol
LogP1.31
Rot. Bonds1

About (2Z)-3-amino-4-methylpenta-2,4-dien-2-ol

(2Z)-3-amino-4-methylpenta-2,4-dien-2-ol (PubChem CID 143962844) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is (2Z)-3-amino-4-methylpenta-2,4-dien-2-ol.

Molecular Properties

Compound Name(2Z)-3-amino-4-methylpenta-2,4-dien-2-ol
PubChem CID143962844
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name(2Z)-3-amino-4-methylpenta-2,4-dien-2-ol
SMILESC=C(C)/C(N)=C(\C)O
InChIInChI=1S/C6H11NO/c1-4(2)6(7)5(3)8/h8H,1,7H2,2-3H3/b6-5-
InChIKeyGUTZUBVFQSFQRR-WAYWQWQTSA-N
XLogP1.31
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 51.31
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)-4-amino-5-fluoro-3-methylhepta-2,4-dien-2-ol
CID 144851394
2-Amino-3-methylcyclohexa-1,3-dien-1-ol
CID 58436629
(3Z,5Z)-3-amino-2-methylhepta-1,3,5-trien-4-ol
CID 88890672
(2E,4E)-5-amino-4-methylhexa-2,4-dien-2-ol
CID 129145728
(3E)-5-aminohexa-3,5-dien-3-ol
CID 132207868
(3Z)-4-methoxy-2-methylpenta-1,3-dien-3-amine
CID 134468970
(3Z)-5-amino-2-methylhexa-3,5-dien-3-ol
CID 137384297
(2Z)-3-amino-5-methylhexa-2,4-dien-2-ol
CID 138597164
(2Z,4Z)-3-aminohepta-2,4-dien-2-ol
CID 142171572
(Z)-3-amino-4-methylidenehex-2-en-2-ol
CID 143962853
(Z)-3-amino-5-methyl-4-methylidenehex-2-en-2-ol
CID 143962868
(3E)-4-amino-5-methylhexa-1,3,5-trien-2-ol
CID 144057988

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-amino-4-methylpenta-2,4-dien-2-ol?
The IUPAC name of (2Z)-3-amino-4-methylpenta-2,4-dien-2-ol (CID 143962844) is (2Z)-3-amino-4-methylpenta-2,4-dien-2-ol.
What is the SMILES notation for (2Z)-3-amino-4-methylpenta-2,4-dien-2-ol?
The canonical SMILES for (2Z)-3-amino-4-methylpenta-2,4-dien-2-ol is C=C(C)/C(N)=C(\C)O.
What is the InChIKey of (2Z)-3-amino-4-methylpenta-2,4-dien-2-ol?
The InChIKey is GUTZUBVFQSFQRR-WAYWQWQTSA-N. The full InChI is InChI=1S/C6H11NO/c1-4(2)6(7)5(3)8/h8H,1,7H2,2-3H3/b6-5-.
What are the key properties of (2Z)-3-amino-4-methylpenta-2,4-dien-2-ol?
(2Z)-3-amino-4-methylpenta-2,4-dien-2-ol has a molecular weight of 113.16 g/mol, XLogP of 1.31, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-amino-4-methylpenta-2,4-dien-2-ol is sourced from PubChem (CID 143962844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).