9-methyl-3-(4-prop-1-en-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol

C18H25NO — CID 171962081

IUPAC9-methyl-3-(4-prop-1-en-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESC=C(C)c1ccc(C2(O)CC3CCCC(C2)N3C)cc1
InChIInChI=1S/C18H25NO/c1-13(2)14-7-9-15(10-8-14)18(20)11-16-5-4-6-17(12-18)19(16)3/h7-10,16-17,20H,1,4-6,11-12H2,2-3H3
InChIKeyPWDAHFCIYINYAH-UHFFFAOYSA-N
MW271.40 g/mol
LogP3.55
Rot. Bonds2

About 9-methyl-3-(4-prop-1-en-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol

9-methyl-3-(4-prop-1-en-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol (PubChem CID 171962081) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is 9-methyl-3-(4-prop-1-en-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol.

Molecular Properties

Compound Name9-methyl-3-(4-prop-1-en-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
PubChem CID171962081
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name9-methyl-3-(4-prop-1-en-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol
SMILESC=C(C)c1ccc(C2(O)CC3CCCC(C2)N3C)cc1
InChIInChI=1S/C18H25NO/c1-13(2)14-7-9-15(10-8-14)18(20)11-16-5-4-6-17(12-18)19(16)3/h7-10,16-17,20H,1,4-6,11-12H2,2-3H3
InChIKeyPWDAHFCIYINYAH-UHFFFAOYSA-N
XLogP3.55
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-prop-1-en-2-ylphenyl)-9-thiabicyclo[3.3.1]nonan-3-ol
CID 171962086
9-oxo-3-(4-prop-1-en-2-ylphenyl)-9λ4-thiabicyclo[3.3.1]nonan-3-ol
CID 171962087
9-methyl-3-[4-(trifluoromethoxy)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171963371
2-fluoro-4-(3-hydroxy-9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)benzonitrile
CID 171960877
3-(6-methoxy-3-pyridinyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171957753
8-methyl-3-(4-propan-2-yloxyphenyl)-8-azabicyclo[3.2.1]octan-3-ol
CID 171954809
9-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171954546
3-(4-fluoro-3-methoxyphenyl)-9-methyl-9-azabicyclo[3.3.1]nonan-3-ol
CID 171961446
3-[4-(1,3-dioxolan-2-yl)phenyl]-8-methyl-8-azabicyclo[3.2.1]octan-3-ol
CID 171963062
benzyl 3-hydroxy-3-(4-prop-1-en-2-ylphenyl)-8-azabicyclo[3.2.1]octane-8-carboxylate
CID 171962074
9-methyl-3-[3-(trifluoromethyl)phenyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171955706
9-methyl-3-[5-(trifluoromethyl)-3-pyridinyl]-9-azabicyclo[3.3.1]nonan-3-ol
CID 171954521

Frequently Asked Questions

What is the IUPAC name of 9-methyl-3-(4-prop-1-en-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The IUPAC name of 9-methyl-3-(4-prop-1-en-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol (CID 171962081) is 9-methyl-3-(4-prop-1-en-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol.
What is the SMILES notation for 9-methyl-3-(4-prop-1-en-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The canonical SMILES for 9-methyl-3-(4-prop-1-en-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol is C=C(C)c1ccc(C2(O)CC3CCCC(C2)N3C)cc1.
What is the InChIKey of 9-methyl-3-(4-prop-1-en-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
The InChIKey is PWDAHFCIYINYAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25NO/c1-13(2)14-7-9-15(10-8-14)18(20)11-16-5-4-6-17(12-18)19(16)3/h7-10,16-17,20H,1,4-6,11-12H2,2-3H3.
What are the key properties of 9-methyl-3-(4-prop-1-en-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol?
9-methyl-3-(4-prop-1-en-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol has a molecular weight of 271.40 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-3-(4-prop-1-en-2-ylphenyl)-9-azabicyclo[3.3.1]nonan-3-ol is sourced from PubChem (CID 171962081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).