(Z)-2-methyl-3-(methylideneamino)pent-3-en-2-ol

C7H13NO — CID 144712771

IUPAC(Z)-2-methyl-3-(methylideneamino)pent-3-en-2-ol
SMILESC=N/C(=C\C)C(C)(C)O
InChIInChI=1S/C7H13NO/c1-5-6(8-4)7(2,3)9/h5,9H,4H2,1-3H3/b6-5-
InChIKeyRZVXFUUMEQYVLR-WAYWQWQTSA-N
MW127.19 g/mol
LogP1.36
Rot. Bonds2

About (Z)-2-methyl-3-(methylideneamino)pent-3-en-2-ol

(Z)-2-methyl-3-(methylideneamino)pent-3-en-2-ol (PubChem CID 144712771) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is (Z)-2-methyl-3-(methylideneamino)pent-3-en-2-ol.

Molecular Properties

Compound Name(Z)-2-methyl-3-(methylideneamino)pent-3-en-2-ol
PubChem CID144712771
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name(Z)-2-methyl-3-(methylideneamino)pent-3-en-2-ol
SMILESC=N/C(=C\C)C(C)(C)O
InChIInChI=1S/C7H13NO/c1-5-6(8-4)7(2,3)9/h5,9H,4H2,1-3H3/b6-5-
InChIKeyRZVXFUUMEQYVLR-WAYWQWQTSA-N
XLogP1.36
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

N-[(3Z,5Z)-2,2-dimethylhepta-3,5-dien-3-yl]methanimine
CID 126494567
N-[(2Z,5E)-5-ethenyl-4,4-dimethylocta-2,5,7-trien-3-yl]methanimine
CID 155337310
N-methylidene-N'-[(Z)-1,1,1-trifluorobut-2-en-2-yl]methanimidamide
CID 130242785
(Z)-3-methoxy-3-methyl-2-(methylideneamino)but-1-ene-1-thiol
CID 153380694
3-fluoro-2-methylbut-3-en-2-ol
CID 119096236
2-hydroxy-2-methyl-N-methylidenepropanimidamide
CID 165398140
(1Z,3Z)-N-tert-butyl-1-(methylideneamino)penta-1,3-dien-1-amine
CID 155138134
N-[(2Z)-1,1,1-trifluoro-5-methylhexa-2,4-dien-2-yl]methanimine
CID 143072468
(Z)-2,3-dimethylpent-3-en-2-ol
CID 173496054
N-[(Z)-1-[amino(propan-2-yl)amino]-3,3-dimethylbut-1-en-2-yl]methanimine
CID 146213851
(Z)-5,5,5-trifluoro-4-(methylideneamino)pent-3-en-2-one
CID 90918047
2-[(E)-ethylideneamino]propan-2-ol
CID 90396206

Frequently Asked Questions

What is the IUPAC name of (Z)-2-methyl-3-(methylideneamino)pent-3-en-2-ol?
The IUPAC name of (Z)-2-methyl-3-(methylideneamino)pent-3-en-2-ol (CID 144712771) is (Z)-2-methyl-3-(methylideneamino)pent-3-en-2-ol.
What is the SMILES notation for (Z)-2-methyl-3-(methylideneamino)pent-3-en-2-ol?
The canonical SMILES for (Z)-2-methyl-3-(methylideneamino)pent-3-en-2-ol is C=N/C(=C\C)C(C)(C)O.
What is the InChIKey of (Z)-2-methyl-3-(methylideneamino)pent-3-en-2-ol?
The InChIKey is RZVXFUUMEQYVLR-WAYWQWQTSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-6(8-4)7(2,3)9/h5,9H,4H2,1-3H3/b6-5-.
What are the key properties of (Z)-2-methyl-3-(methylideneamino)pent-3-en-2-ol?
(Z)-2-methyl-3-(methylideneamino)pent-3-en-2-ol has a molecular weight of 127.19 g/mol, XLogP of 1.36, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-methyl-3-(methylideneamino)pent-3-en-2-ol is sourced from PubChem (CID 144712771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).