azane;1-but-3-en-2-yl-3-methoxybenzene

C11H17NO — CID 143849691

IUPACazane;1-but-3-en-2-yl-3-methoxybenzene
SMILESC=CC(C)c1cccc(OC)c1.N
InChIInChI=1S/C11H14O.H3N/c1-4-9(2)10-6-5-7-11(8-10)12-3;/h4-9H,1H2,2-3H3;1H3
InChIKeyPYXORQUUTWAVMT-UHFFFAOYSA-N
MW179.26 g/mol
LogP3.15
Rot. Bonds3

About azane;1-but-3-en-2-yl-3-methoxybenzene

azane;1-but-3-en-2-yl-3-methoxybenzene (PubChem CID 143849691) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is azane;1-but-3-en-2-yl-3-methoxybenzene.

Molecular Properties

Compound Nameazane;1-but-3-en-2-yl-3-methoxybenzene
PubChem CID143849691
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Nameazane;1-but-3-en-2-yl-3-methoxybenzene
SMILESC=CC(C)c1cccc(OC)c1.N
InChIInChI=1S/C11H14O.H3N/c1-4-9(2)10-6-5-7-11(8-10)12-3;/h4-9H,1H2,2-3H3;1H3
InChIKeyPYXORQUUTWAVMT-UHFFFAOYSA-N
XLogP3.15
TPSA44.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze azane;1-but-3-en-2-yl-3-methoxybenzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1R,2S)-1-(3-methoxyphenyl)-2-methylbut-3-en-1-ol
CID 139262042
1-but-3-en-2-yl-3-(2-methoxyethoxy)benzene
CID 57136010
(1R)-1-(3-methoxyphenyl)prop-2-en-1-amine
CID 55278128
3-(3-methoxyphenyl)-2-methylpent-4-enal
CID 174715071
1-methoxy-3-[3-(3-methoxyphenyl)butan-2-yl]benzene
CID 12861418
(2R,3R)-3-(3-methoxyphenyl)-2-methylpent-4-enoic acid
CID 118204888
(1R)-1-(3-methoxyphenyl)ethanol
CID 10219539
1-methoxy-3-(1-phenylprop-2-enoxy)benzene
CID 68585069
[(1R)-1-(3-methoxyphenyl)ethyl]-trimethylsilane
CID 132551583
1-(3-methoxyphenyl)ethanamine;hydrochloride
CID 19864848
methane;(1R)-1-(3-methoxyphenyl)ethanamine
CID 160746722
azane;1,3-dimethoxybenzene
CID 70210283

Frequently Asked Questions

What is the IUPAC name of azane;1-but-3-en-2-yl-3-methoxybenzene?
The IUPAC name of azane;1-but-3-en-2-yl-3-methoxybenzene (CID 143849691) is azane;1-but-3-en-2-yl-3-methoxybenzene.
What is the SMILES notation for azane;1-but-3-en-2-yl-3-methoxybenzene?
The canonical SMILES for azane;1-but-3-en-2-yl-3-methoxybenzene is C=CC(C)c1cccc(OC)c1.N.
What is the InChIKey of azane;1-but-3-en-2-yl-3-methoxybenzene?
The InChIKey is PYXORQUUTWAVMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O.H3N/c1-4-9(2)10-6-5-7-11(8-10)12-3;/h4-9H,1H2,2-3H3;1H3.
What are the key properties of azane;1-but-3-en-2-yl-3-methoxybenzene?
azane;1-but-3-en-2-yl-3-methoxybenzene has a molecular weight of 179.26 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for azane;1-but-3-en-2-yl-3-methoxybenzene is sourced from PubChem (CID 143849691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).