(Z)-3-methyl-4-(methylamino)pent-2-en-2-ol

C7H15NO — CID 156865022

IUPAC(Z)-3-methyl-4-(methylamino)pent-2-en-2-ol
SMILESCNC(C)/C(C)=C(/C)O
InChIInChI=1S/C7H15NO/c1-5(7(3)9)6(2)8-4/h6,8-9H,1-4H3/b7-5-
InChIKeyQMJXZALDUOAJPX-ALCCZGGFSA-N
MW129.20 g/mol
LogP1.45
Rot. Bonds2

About (Z)-3-methyl-4-(methylamino)pent-2-en-2-ol

(Z)-3-methyl-4-(methylamino)pent-2-en-2-ol (PubChem CID 156865022) has the molecular formula C7H15NO and a molecular weight of 129.20 g/mol. Its IUPAC name is (Z)-3-methyl-4-(methylamino)pent-2-en-2-ol.

Molecular Properties

Compound Name(Z)-3-methyl-4-(methylamino)pent-2-en-2-ol
PubChem CID156865022
Molecular FormulaC7H15NO
Molecular Weight129.20 g/mol
Exact Mass129.12
IUPAC Name(Z)-3-methyl-4-(methylamino)pent-2-en-2-ol
SMILESCNC(C)/C(C)=C(/C)O
InChIInChI=1S/C7H15NO/c1-5(7(3)9)6(2)8-4/h6,8-9H,1-4H3/b7-5-
InChIKeyQMJXZALDUOAJPX-ALCCZGGFSA-N
XLogP1.45
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.20
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-methyl-4-(methylamino)pent-2-en-2-ol?
The IUPAC name of (Z)-3-methyl-4-(methylamino)pent-2-en-2-ol (CID 156865022) is (Z)-3-methyl-4-(methylamino)pent-2-en-2-ol.
What is the SMILES notation for (Z)-3-methyl-4-(methylamino)pent-2-en-2-ol?
The canonical SMILES for (Z)-3-methyl-4-(methylamino)pent-2-en-2-ol is CNC(C)/C(C)=C(/C)O.
What is the InChIKey of (Z)-3-methyl-4-(methylamino)pent-2-en-2-ol?
The InChIKey is QMJXZALDUOAJPX-ALCCZGGFSA-N. The full InChI is InChI=1S/C7H15NO/c1-5(7(3)9)6(2)8-4/h6,8-9H,1-4H3/b7-5-.
What are the key properties of (Z)-3-methyl-4-(methylamino)pent-2-en-2-ol?
(Z)-3-methyl-4-(methylamino)pent-2-en-2-ol has a molecular weight of 129.20 g/mol, XLogP of 1.45, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-methyl-4-(methylamino)pent-2-en-2-ol is sourced from PubChem (CID 156865022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).