3-(2-cyclopentyloxy-3-methoxyphenyl)prop-2-enoyl azide

C15H17N3O3 — CID 91053667

IUPAC3-(2-cyclopentyloxy-3-methoxyphenyl)prop-2-enoyl azide
SMILESCOc1cccc(C=CC(=O)N=[N+]=[N-])c1OC1CCCC1
InChIInChI=1S/C15H17N3O3/c1-20-13-8-4-5-11(9-10-14(19)17-18-16)15(13)21-12-6-2-3-7-12/h4-5,8-10,12H,2-3,6-7H2,1H3
InChIKeyKJSPJPBCIZTFON-UHFFFAOYSA-N
MW287.32 g/mol
LogP3.87
Rot. Bonds5

About 3-(2-cyclopentyloxy-3-methoxyphenyl)prop-2-enoyl azide

3-(2-cyclopentyloxy-3-methoxyphenyl)prop-2-enoyl azide (PubChem CID 91053667) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 3-(2-cyclopentyloxy-3-methoxyphenyl)prop-2-enoyl azide.

Molecular Properties

Compound Name3-(2-cyclopentyloxy-3-methoxyphenyl)prop-2-enoyl azide
PubChem CID91053667
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name3-(2-cyclopentyloxy-3-methoxyphenyl)prop-2-enoyl azide
SMILESCOc1cccc(C=CC(=O)N=[N+]=[N-])c1OC1CCCC1
InChIInChI=1S/C15H17N3O3/c1-20-13-8-4-5-11(9-10-14(19)17-18-16)15(13)21-12-6-2-3-7-12/h4-5,8-10,12H,2-3,6-7H2,1H3
InChIKeyKJSPJPBCIZTFON-UHFFFAOYSA-N
XLogP3.87
TPSA84.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

(NE)-N-[(2-cyclopentyloxy-3-methoxyphenyl)methylidene]hydroxylamine
CID 87204181
(E)-3-(2-cyclobutyloxy-3-methoxyphenyl)prop-2-en-1-amine
CID 117338371
cyclohexyl (E)-3-[2-(difluoromethoxy)-3-methoxyphenyl]prop-2-enoate
CID 60599243
methyl 2-cyclopentyloxy-3-methoxybenzoate
CID 117054108
3-(3-bromo-2-cyclopentyloxyphenyl)prop-2-enoic acid
CID 61392069
(E)-3-(2,3-dimethoxyphenyl)-N-[(1S,2S)-2-methylcyclohexyl]prop-2-enamide
CID 8004597
2-cyclopentyloxy-1-ethyl-3-methoxybenzene
CID 90711986
N-[2-[(5-cyano-2-pyridinyl)amino]-3,5-difluorophenyl]-3-(2-cyclopentyloxy-3-methoxyphenyl)prop-2-enamide
CID 76798411
2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-methylchromen-4-one
CID 91534261
2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]-3-iodochromen-4-one
CID 67405069
3-bromo-2-[2-(2-cyclopentyloxy-3-methoxyphenyl)ethenyl]pyrido[1,2-a]pyrimidin-4-one
CID 67547244
(E)-3-(2-cyclopentyloxyphenyl)prop-2-enoic acid
CID 29017962

Frequently Asked Questions

What is the IUPAC name of 3-(2-cyclopentyloxy-3-methoxyphenyl)prop-2-enoyl azide?
The IUPAC name of 3-(2-cyclopentyloxy-3-methoxyphenyl)prop-2-enoyl azide (CID 91053667) is 3-(2-cyclopentyloxy-3-methoxyphenyl)prop-2-enoyl azide.
What is the SMILES notation for 3-(2-cyclopentyloxy-3-methoxyphenyl)prop-2-enoyl azide?
The canonical SMILES for 3-(2-cyclopentyloxy-3-methoxyphenyl)prop-2-enoyl azide is COc1cccc(C=CC(=O)N=[N+]=[N-])c1OC1CCCC1.
What is the InChIKey of 3-(2-cyclopentyloxy-3-methoxyphenyl)prop-2-enoyl azide?
The InChIKey is KJSPJPBCIZTFON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-20-13-8-4-5-11(9-10-14(19)17-18-16)15(13)21-12-6-2-3-7-12/h4-5,8-10,12H,2-3,6-7H2,1H3.
What are the key properties of 3-(2-cyclopentyloxy-3-methoxyphenyl)prop-2-enoyl azide?
3-(2-cyclopentyloxy-3-methoxyphenyl)prop-2-enoyl azide has a molecular weight of 287.32 g/mol, XLogP of 3.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-cyclopentyloxy-3-methoxyphenyl)prop-2-enoyl azide is sourced from PubChem (CID 91053667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).