2-methyl-3-methyliminopent-4-en-2-ol

C7H13NO — CID 145069918

IUPAC2-methyl-3-methyliminopent-4-en-2-ol
SMILESC=C/C(=N\C)C(C)(C)O
InChIInChI=1S/C7H13NO/c1-5-6(8-4)7(2,3)9/h5,9H,1H2,2-4H3/b8-6+
InChIKeyULWFEJWMQNOOLK-SOFGYWHQSA-N
MW127.19 g/mol
LogP1.01
Rot. Bonds2

About 2-methyl-3-methyliminopent-4-en-2-ol

2-methyl-3-methyliminopent-4-en-2-ol (PubChem CID 145069918) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 2-methyl-3-methyliminopent-4-en-2-ol.

Molecular Properties

Compound Name2-methyl-3-methyliminopent-4-en-2-ol
PubChem CID145069918
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name2-methyl-3-methyliminopent-4-en-2-ol
SMILESC=C/C(=N\C)C(C)(C)O
InChIInChI=1S/C7H13NO/c1-5-6(8-4)7(2,3)9/h5,9H,1H2,2-4H3/b8-6+
InChIKeyULWFEJWMQNOOLK-SOFGYWHQSA-N
XLogP1.01
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 ≤ 51.01
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

(3Z)-1,1,1-trifluoro-N,4-dimethylhexa-3,5-dien-2-imine
CID 177050310
(4Z)-2-methyl-3-methyliminohepta-4,6-dien-2-amine
CID 170583082
(Z)-N,2,2,7,7-pentamethyl-6-methylideneoct-4-en-3-imine
CID 169243501
[(1E)-2-tert-butylbuta-1,3-dienyl]-methyldiazene
CID 130346455
(Z)-3-N,4,4-trimethyl-1-N-methylidenepent-1-ene-1,3-diimine
CID 87414942
(E)-N-ethenoxy-4,4-dimethylpent-1-en-3-imine
CID 155051861
ethane-1,1,1-triol;tris(prop-2-enoic acid)
CID 159443056
N,2,2,5,6,6-hexamethylhept-4-en-3-imine
CID 123161539
3-N,4-N-bis(ethenyl)-2,2,5,5-tetramethylhexane-3,4-diimine
CID 146577227
(Z)-4,4-dimethyl-N-[(Z)-propylideneamino]pent-1-en-3-imine
CID 156796205
(Z)-2-methyl-3-(methylideneamino)pent-3-en-2-ol
CID 144712771
ethane;(4E,6Z)-4-ethenyl-3,3-difluoro-2-methylocta-4,6-dien-2-ol
CID 164918182

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-methyliminopent-4-en-2-ol?
The IUPAC name of 2-methyl-3-methyliminopent-4-en-2-ol (CID 145069918) is 2-methyl-3-methyliminopent-4-en-2-ol.
What is the SMILES notation for 2-methyl-3-methyliminopent-4-en-2-ol?
The canonical SMILES for 2-methyl-3-methyliminopent-4-en-2-ol is C=C/C(=N\C)C(C)(C)O.
What is the InChIKey of 2-methyl-3-methyliminopent-4-en-2-ol?
The InChIKey is ULWFEJWMQNOOLK-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H13NO/c1-5-6(8-4)7(2,3)9/h5,9H,1H2,2-4H3/b8-6+.
What are the key properties of 2-methyl-3-methyliminopent-4-en-2-ol?
2-methyl-3-methyliminopent-4-en-2-ol has a molecular weight of 127.19 g/mol, XLogP of 1.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-methyliminopent-4-en-2-ol is sourced from PubChem (CID 145069918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).