4-prop-1-en-2-ylazepan-4-ol

C9H17NO — CID 103983005

IUPAC4-prop-1-en-2-ylazepan-4-ol
SMILESC=C(C)C1(O)CCCNCC1
InChIInChI=1S/C9H17NO/c1-8(2)9(11)4-3-6-10-7-5-9/h10-11H,1,3-7H2,2H3
InChIKeyPGSACKYBSYFWGU-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.07
Rot. Bonds1

About 4-prop-1-en-2-ylazepan-4-ol

4-prop-1-en-2-ylazepan-4-ol (PubChem CID 103983005) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 4-prop-1-en-2-ylazepan-4-ol.

Molecular Properties

Compound Name4-prop-1-en-2-ylazepan-4-ol
PubChem CID103983005
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name4-prop-1-en-2-ylazepan-4-ol
SMILESC=C(C)C1(O)CCCNCC1
InChIInChI=1S/C9H17NO/c1-8(2)9(11)4-3-6-10-7-5-9/h10-11H,1,3-7H2,2H3
InChIKeyPGSACKYBSYFWGU-UHFFFAOYSA-N
XLogP1.07
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 ≤ 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-Prop-2-enylazepan-4-ol
CID 103982838
2-Methyl-3-[2-(methylamino)ethyl]hex-1-en-3-ol
CID 147205425
2,3-Dimethyl-5-(methylamino)pent-1-en-3-ol
CID 79179306
5-(Ethylamino)-2,3-dimethylpent-1-en-3-ol
CID 79179535
2,3-Dimethyl-5-(propylamino)pent-1-en-3-ol
CID 79179732
2,3-Dimethyl-5-(2-methylpropylamino)pent-1-en-3-ol
CID 79180297
1-Propan-2-yl-4-prop-1-en-2-ylazepan-4-ol
CID 79189482
1-Methyl-4-prop-1-en-2-ylazepan-4-ol
CID 79190908
1-Ethyl-4-prop-1-en-2-ylazepan-4-ol
CID 79191016
4-Prop-1-en-2-yl-1-propylazepan-4-ol
CID 79191123
4-Ethenylazepan-4-ol
CID 103982942
4-(2-Methylprop-1-enyl)azepan-4-ol
CID 103982986

Frequently Asked Questions

What is the IUPAC name of 4-prop-1-en-2-ylazepan-4-ol?
The IUPAC name of 4-prop-1-en-2-ylazepan-4-ol (CID 103983005) is 4-prop-1-en-2-ylazepan-4-ol.
What is the SMILES notation for 4-prop-1-en-2-ylazepan-4-ol?
The canonical SMILES for 4-prop-1-en-2-ylazepan-4-ol is C=C(C)C1(O)CCCNCC1.
What is the InChIKey of 4-prop-1-en-2-ylazepan-4-ol?
The InChIKey is PGSACKYBSYFWGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c1-8(2)9(11)4-3-6-10-7-5-9/h10-11H,1,3-7H2,2H3.
What are the key properties of 4-prop-1-en-2-ylazepan-4-ol?
4-prop-1-en-2-ylazepan-4-ol has a molecular weight of 155.24 g/mol, XLogP of 1.07, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-ylazepan-4-ol is sourced from PubChem (CID 103983005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).