(1-prop-2-enylazepan-2-yl)methanol

C10H19NO — CID 116637314

IUPAC(1-prop-2-enylazepan-2-yl)methanol
SMILESC=CCN1CCCCCC1CO
InChIInChI=1S/C10H19NO/c1-2-7-11-8-5-3-4-6-10(11)9-12/h2,10,12H,1,3-9H2
InChIKeyMDCWOKXRPWNYHK-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.41
Rot. Bonds3

About (1-prop-2-enylazepan-2-yl)methanol

(1-prop-2-enylazepan-2-yl)methanol (PubChem CID 116637314) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (1-prop-2-enylazepan-2-yl)methanol.

Molecular Properties

Compound Name(1-prop-2-enylazepan-2-yl)methanol
PubChem CID116637314
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(1-prop-2-enylazepan-2-yl)methanol
SMILESC=CCN1CCCCCC1CO
InChIInChI=1S/C10H19NO/c1-2-7-11-8-5-3-4-6-10(11)9-12/h2,10,12H,1,3-9H2
InChIKeyMDCWOKXRPWNYHK-UHFFFAOYSA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.41
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 (1-prop-2-enylazepan-2-yl)methanol?
The IUPAC name of (1-prop-2-enylazepan-2-yl)methanol (CID 116637314) is (1-prop-2-enylazepan-2-yl)methanol.
What is the SMILES notation for (1-prop-2-enylazepan-2-yl)methanol?
The canonical SMILES for (1-prop-2-enylazepan-2-yl)methanol is C=CCN1CCCCCC1CO.
What is the InChIKey of (1-prop-2-enylazepan-2-yl)methanol?
The InChIKey is MDCWOKXRPWNYHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-2-7-11-8-5-3-4-6-10(11)9-12/h2,10,12H,1,3-9H2.
What are the key properties of (1-prop-2-enylazepan-2-yl)methanol?
(1-prop-2-enylazepan-2-yl)methanol has a molecular weight of 169.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-prop-2-enylazepan-2-yl)methanol is sourced from PubChem (CID 116637314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).