5-prop-1-enylazepan-3-ol

C9H17NO — CID 123299376

IUPAC5-prop-1-enylazepan-3-ol
SMILESCC=CC1CCNCC(O)C1
InChIInChI=1S/C9H17NO/c1-2-3-8-4-5-10-7-9(11)6-8/h2-3,8-11H,4-7H2,1H3
InChIKeyIQLWITJNMKAOMV-UHFFFAOYSA-N
MW155.24 g/mol
LogP0.92
Rot. Bonds1

About 5-prop-1-enylazepan-3-ol

5-prop-1-enylazepan-3-ol (PubChem CID 123299376) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 5-prop-1-enylazepan-3-ol.

Molecular Properties

Compound Name5-prop-1-enylazepan-3-ol
PubChem CID123299376
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name5-prop-1-enylazepan-3-ol
SMILESCC=CC1CCNCC(O)C1
InChIInChI=1S/C9H17NO/c1-2-3-8-4-5-10-7-9(11)6-8/h2-3,8-11H,4-7H2,1H3
InChIKeyIQLWITJNMKAOMV-UHFFFAOYSA-N
XLogP0.92
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 50.92
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

2-(Cyclohex-3-en-1-ylmethylamino)-2-methylpentan-1-ol
CID 75387507
2-(Tert-butylamino)-1-cyclohex-3-en-1-ylethanol
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(4E)-4-pent-4-enylideneazepan-3-ol
CID 68199949
1-(Cyclohex-3-en-1-yl)-2-(methylamino)ethan-1-ol
CID 84013562
(Z,2R)-3-ethenyl-1-(ethylamino)hept-5-en-2-ol
CID 88863692
2,3,4,5,5a,6,7,8-octahydro-1H-3-benzazepin-5-ol
CID 123871950
(E,2S,3R,4R)-4-methyl-2-(methylamino)oct-6-en-3-ol
CID 150111036
(E)-4-methyl-2-(methylamino)oct-6-en-3-ol
CID 155352133
(Z)-1-(ethylamino)-3,7,8-trimethylnon-6-en-2-ol
CID 166998489
3-[6-[(Z)-pent-3-enyl]azepan-3-yl]propan-1-ol
CID 167080852
3-Methyl-1-(3-methylhex-4-en-3-ylamino)hexan-2-ol
CID 169603147
(3S)-5-propan-2-yl-2,3,4,7-tetrahydro-1H-azepin-3-ol
CID 172496667

Frequently Asked Questions

What is the IUPAC name of 5-prop-1-enylazepan-3-ol?
The IUPAC name of 5-prop-1-enylazepan-3-ol (CID 123299376) is 5-prop-1-enylazepan-3-ol.
What is the SMILES notation for 5-prop-1-enylazepan-3-ol?
The canonical SMILES for 5-prop-1-enylazepan-3-ol is CC=CC1CCNCC(O)C1.
What is the InChIKey of 5-prop-1-enylazepan-3-ol?
The InChIKey is IQLWITJNMKAOMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-2-3-8-4-5-10-7-9(11)6-8/h2-3,8-11H,4-7H2,1H3.
What are the key properties of 5-prop-1-enylazepan-3-ol?
5-prop-1-enylazepan-3-ol has a molecular weight of 155.24 g/mol, XLogP of 0.92, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-prop-1-enylazepan-3-ol is sourced from PubChem (CID 123299376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).