5-propan-2-yloxy-1-prop-2-ynylindole

C14H15NO — CID 116625801

IUPAC5-propan-2-yloxy-1-prop-2-ynylindole
SMILESC#CCn1ccc2cc(OC(C)C)ccc21
InChIInChI=1S/C14H15NO/c1-4-8-15-9-7-12-10-13(16-11(2)3)5-6-14(12)15/h1,5-7,9-11H,8H2,2-3H3
InChIKeyZJDXJOLOIPYZAT-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.06
Rot. Bonds3

About 5-propan-2-yloxy-1-prop-2-ynylindole

5-propan-2-yloxy-1-prop-2-ynylindole (PubChem CID 116625801) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-propan-2-yloxy-1-prop-2-ynylindole.

Molecular Properties

Compound Name5-propan-2-yloxy-1-prop-2-ynylindole
PubChem CID116625801
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name5-propan-2-yloxy-1-prop-2-ynylindole
SMILESC#CCn1ccc2cc(OC(C)C)ccc21
InChIInChI=1S/C14H15NO/c1-4-8-15-9-7-12-10-13(16-11(2)3)5-6-14(12)15/h1,5-7,9-11H,8H2,2-3H3
InChIKeyZJDXJOLOIPYZAT-UHFFFAOYSA-N
XLogP3.06
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-1-prop-2-ynylindole
CID 45091362
1-(2-methoxyethyl)-5-propan-2-yloxyindole
CID 116625827
1-(3-fluoropropyl)-5-propan-2-yloxyindole
CID 116625898
4-(5-propan-2-yloxyindol-1-yl)butan-1-amine
CID 80643163
1-(2-piperidin-1-ylethyl)-5-propan-2-yloxyindole
CID 116625738
1-[(5-ethylthiophen-2-yl)methyl]-5-propan-2-yloxyindole
CID 116625768
N,N-dimethyl-1-[(5-propan-2-yloxyindol-1-yl)methyl]cyclopropan-1-amine
CID 162388983
1-(2,2-diethoxyethyl)-5-propan-2-yloxyindole
CID 80649265
1-cyclopropyl-2-(5-propan-2-yloxyindol-1-yl)ethanone
CID 80643179
1-(cyclopentylmethyl)-5-propan-2-yloxyindole
CID 116625784
5-propan-2-yloxy-1-(2-propoxyethyl)indole
CID 106458095
3-methyl-1-(5-propan-2-yloxyindol-1-yl)pentan-2-one
CID 80643678

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yloxy-1-prop-2-ynylindole?
The IUPAC name of 5-propan-2-yloxy-1-prop-2-ynylindole (CID 116625801) is 5-propan-2-yloxy-1-prop-2-ynylindole.
What is the SMILES notation for 5-propan-2-yloxy-1-prop-2-ynylindole?
The canonical SMILES for 5-propan-2-yloxy-1-prop-2-ynylindole is C#CCn1ccc2cc(OC(C)C)ccc21.
What is the InChIKey of 5-propan-2-yloxy-1-prop-2-ynylindole?
The InChIKey is ZJDXJOLOIPYZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c1-4-8-15-9-7-12-10-13(16-11(2)3)5-6-14(12)15/h1,5-7,9-11H,8H2,2-3H3.
What are the key properties of 5-propan-2-yloxy-1-prop-2-ynylindole?
5-propan-2-yloxy-1-prop-2-ynylindole has a molecular weight of 213.28 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yloxy-1-prop-2-ynylindole is sourced from PubChem (CID 116625801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).