4-prop-2-enylazepan-4-ol

C9H17NO — CID 103982838

IUPAC4-prop-2-enylazepan-4-ol
SMILESC=CCC1(O)CCCNCC1
InChIInChI=1S/C9H17NO/c1-2-4-9(11)5-3-7-10-8-6-9/h2,10-11H,1,3-8H2
InChIKeyJUIURGGTOKIPKD-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.07
Rot. Bonds2

About 4-prop-2-enylazepan-4-ol

4-prop-2-enylazepan-4-ol (PubChem CID 103982838) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-prop-2-enylazepan-4-ol.

Molecular Properties

Compound Name4-prop-2-enylazepan-4-ol
PubChem CID103982838
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-prop-2-enylazepan-4-ol
SMILESC=CCC1(O)CCCNCC1
InChIInChI=1S/C9H17NO/c1-2-4-9(11)5-3-7-10-8-6-9/h2,10-11H,1,3-8H2
InChIKeyJUIURGGTOKIPKD-UHFFFAOYSA-N
XLogP1.07
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.07
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

4-[3-[(4-Hydroxy-4-prop-2-enylhept-6-enyl)amino]propyl]hepta-1,6-dien-4-ol
CID 87691664
4-But-3-enylpiperidin-4-ol
CID 123326470
4-(Aminomethyl)-1-but-3-enylazepan-4-ol
CID 142337773
1-Methyl-4-prop-2-enylazepan-4-ol
CID 79734396
1-Ethyl-4-prop-2-enylazepan-4-ol
CID 79734397
4-Prop-2-enyl-1-propylazepan-4-ol
CID 79734490
1-Propan-2-yl-4-prop-2-enylazepan-4-ol
CID 79734491
1-(Ethylamino)-3-methylhex-5-en-3-ol
CID 79734599
3-Methyl-1-(propylamino)hex-5-en-3-ol
CID 79734696
4-Ethenylazepan-4-ol
CID 103982942
4-Prop-1-en-2-ylazepan-4-ol
CID 103983005
1-Hept-6-enyl-4-methylazepan-4-ol
CID 107408075

Frequently Asked Questions

What is the IUPAC name of 4-prop-2-enylazepan-4-ol?
The IUPAC name of 4-prop-2-enylazepan-4-ol (CID 103982838) is 4-prop-2-enylazepan-4-ol.
What is the SMILES notation for 4-prop-2-enylazepan-4-ol?
The canonical SMILES for 4-prop-2-enylazepan-4-ol is C=CCC1(O)CCCNCC1.
What is the InChIKey of 4-prop-2-enylazepan-4-ol?
The InChIKey is JUIURGGTOKIPKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-4-9(11)5-3-7-10-8-6-9/h2,10-11H,1,3-8H2.
What are the key properties of 4-prop-2-enylazepan-4-ol?
4-prop-2-enylazepan-4-ol has a molecular weight of 155.24 g/mol, XLogP of 1.07, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-2-enylazepan-4-ol is sourced from PubChem (CID 103982838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).