(1Z)-2-aminopenta-1,4-dien-1-ol

C5H9NO — CID 173124766

IUPAC(1Z)-2-aminopenta-1,4-dien-1-ol
SMILESC=CC/C(N)=C/O
InChIInChI=1S/C5H9NO/c1-2-3-5(6)4-7/h2,4,7H,1,3,6H2/b5-4-
InChIKeySKTMFYBXKODCOL-PLNGDYQASA-N
MW99.13 g/mol
LogP0.92
Rot. Bonds2

About (1Z)-2-aminopenta-1,4-dien-1-ol

(1Z)-2-aminopenta-1,4-dien-1-ol (PubChem CID 173124766) has the molecular formula C5H9NO and a molecular weight of 99.13 g/mol. Its IUPAC name is (1Z)-2-aminopenta-1,4-dien-1-ol.

Molecular Properties

Compound Name(1Z)-2-aminopenta-1,4-dien-1-ol
PubChem CID173124766
Molecular FormulaC5H9NO
Molecular Weight99.13 g/mol
Exact Mass99.07
IUPAC Name(1Z)-2-aminopenta-1,4-dien-1-ol
SMILESC=CC/C(N)=C/O
InChIInChI=1S/C5H9NO/c1-2-3-5(6)4-7/h2,4,7H,1,3,6H2/b5-4-
InChIKeySKTMFYBXKODCOL-PLNGDYQASA-N
XLogP0.92
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50099.13
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

CID 20465493
CID 20465493
CID 143017007
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CID 143140668
CID 143140668
CID 147976463
CID 147976463
CID 150603438
CID 150603438
CID 154169149
CID 154169149
CID 156029635
CID 156029635
CID 173519790
CID 173519790
CID 153699689
CID 153699689

Frequently Asked Questions

What is the IUPAC name of (1Z)-2-aminopenta-1,4-dien-1-ol?
The IUPAC name of (1Z)-2-aminopenta-1,4-dien-1-ol (CID 173124766) is (1Z)-2-aminopenta-1,4-dien-1-ol.
What is the SMILES notation for (1Z)-2-aminopenta-1,4-dien-1-ol?
The canonical SMILES for (1Z)-2-aminopenta-1,4-dien-1-ol is C=CC/C(N)=C/O.
What is the InChIKey of (1Z)-2-aminopenta-1,4-dien-1-ol?
The InChIKey is SKTMFYBXKODCOL-PLNGDYQASA-N. The full InChI is InChI=1S/C5H9NO/c1-2-3-5(6)4-7/h2,4,7H,1,3,6H2/b5-4-.
What are the key properties of (1Z)-2-aminopenta-1,4-dien-1-ol?
(1Z)-2-aminopenta-1,4-dien-1-ol has a molecular weight of 99.13 g/mol, XLogP of 0.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-2-aminopenta-1,4-dien-1-ol is sourced from PubChem (CID 173124766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).