azane;4-methylpent-1-en-3-ol

C6H15NO — CID 175575018

IUPACazane;4-methylpent-1-en-3-ol
SMILESC=CC(O)C(C)C.N
InChIInChI=1S/C6H12O.H3N/c1-4-6(7)5(2)3;/h4-7H,1H2,2-3H3;1H3
InChIKeyHINICQWMIXYQPJ-UHFFFAOYSA-N
MW117.19 g/mol
LogP1.35
Rot. Bonds2

About azane;4-methylpent-1-en-3-ol

azane;4-methylpent-1-en-3-ol (PubChem CID 175575018) has the molecular formula C6H15NO and a molecular weight of 117.19 g/mol. Its IUPAC name is azane;4-methylpent-1-en-3-ol.

Molecular Properties

Compound Nameazane;4-methylpent-1-en-3-ol
PubChem CID175575018
Molecular FormulaC6H15NO
Molecular Weight117.19 g/mol
Exact Mass117.12
IUPAC Nameazane;4-methylpent-1-en-3-ol
SMILESC=CC(O)C(C)C.N
InChIInChI=1S/C6H12O.H3N/c1-4-6(7)5(2)3;/h4-7H,1H2,2-3H3;1H3
InChIKeyHINICQWMIXYQPJ-UHFFFAOYSA-N
XLogP1.35
TPSA55.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.19
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4S)-hexa-1,5-diene-3,4-diol
CID 15562511
4-hydroxy-3-methylhex-5-en-2-one
CID 18338976
4-ethenylhexa-1,5-dien-3-ol
CID 15402805
(3S,4R,5E)-hepta-1,5-diene-3,4-diol
CID 131234166
2-methylhexa-4,5-dien-3-ol
CID 10986182
(3S,4R)-2,2,4-trimethylhex-5-en-3-ol
CID 11182665
methyl 3-hydroxy-2-methylpent-4-enoate
CID 15936058
buta-1,3-diene;butane-2,3-diol;but-3-en-2-ol
CID 157123316
(2S,3S)-pent-4-ene-1,2,3-triol
CID 641010
azane;1-chloroprop-2-en-1-ol
CID 118499684
(2R,3S)-1-(methylamino)pent-4-ene-2,3-diol
CID 46933718
propan-2-yl (2R,3R)-2-amino-3-hydroxypent-4-enoate
CID 11644004

Frequently Asked Questions

What is the IUPAC name of azane;4-methylpent-1-en-3-ol?
The IUPAC name of azane;4-methylpent-1-en-3-ol (CID 175575018) is azane;4-methylpent-1-en-3-ol.
What is the SMILES notation for azane;4-methylpent-1-en-3-ol?
The canonical SMILES for azane;4-methylpent-1-en-3-ol is C=CC(O)C(C)C.N.
What is the InChIKey of azane;4-methylpent-1-en-3-ol?
The InChIKey is HINICQWMIXYQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.H3N/c1-4-6(7)5(2)3;/h4-7H,1H2,2-3H3;1H3.
What are the key properties of azane;4-methylpent-1-en-3-ol?
azane;4-methylpent-1-en-3-ol has a molecular weight of 117.19 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-methylpent-1-en-3-ol is sourced from PubChem (CID 175575018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).