4-prop-1-en-2-yl-1-propylazepan-4-ol

C12H23NO — CID 79191123

IUPAC4-prop-1-en-2-yl-1-propylazepan-4-ol
SMILESC=C(C)C1(O)CCCN(CCC)CC1
InChIInChI=1S/C12H23NO/c1-4-8-13-9-5-6-12(14,7-10-13)11(2)3/h14H,2,4-10H2,1,3H3
InChIKeyVSUSNGARSRHBJI-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.19
Rot. Bonds3

About 4-prop-1-en-2-yl-1-propylazepan-4-ol

4-prop-1-en-2-yl-1-propylazepan-4-ol (PubChem CID 79191123) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-prop-1-en-2-yl-1-propylazepan-4-ol.

Molecular Properties

Compound Name4-prop-1-en-2-yl-1-propylazepan-4-ol
PubChem CID79191123
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-prop-1-en-2-yl-1-propylazepan-4-ol
SMILESC=C(C)C1(O)CCCN(CCC)CC1
InChIInChI=1S/C12H23NO/c1-4-8-13-9-5-6-12(14,7-10-13)11(2)3/h14H,2,4-10H2,1,3H3
InChIKeyVSUSNGARSRHBJI-UHFFFAOYSA-N
XLogP2.19
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-prop-1-en-2-yl-1-propylazepan-4-ol?
The IUPAC name of 4-prop-1-en-2-yl-1-propylazepan-4-ol (CID 79191123) is 4-prop-1-en-2-yl-1-propylazepan-4-ol.
What is the SMILES notation for 4-prop-1-en-2-yl-1-propylazepan-4-ol?
The canonical SMILES for 4-prop-1-en-2-yl-1-propylazepan-4-ol is C=C(C)C1(O)CCCN(CCC)CC1.
What is the InChIKey of 4-prop-1-en-2-yl-1-propylazepan-4-ol?
The InChIKey is VSUSNGARSRHBJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-8-13-9-5-6-12(14,7-10-13)11(2)3/h14H,2,4-10H2,1,3H3.
What are the key properties of 4-prop-1-en-2-yl-1-propylazepan-4-ol?
4-prop-1-en-2-yl-1-propylazepan-4-ol has a molecular weight of 197.32 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-prop-1-en-2-yl-1-propylazepan-4-ol is sourced from PubChem (CID 79191123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).