7-propan-2-yloxy-2,3,4,5-tetrahydro-1H-isoindole

C11H17NO — CID 176925071

IUPAC7-propan-2-yloxy-2,3,4,5-tetrahydro-1H-isoindole
SMILESCC(C)OC1=CCCC2=C1CNC2
InChIInChI=1S/C11H17NO/c1-8(2)13-11-5-3-4-9-6-12-7-10(9)11/h5,8,12H,3-4,6-7H2,1-2H3
InChIKeyLWLTZXQKEFVQCQ-UHFFFAOYSA-N
MW179.26 g/mol
LogP1.99
Rot. Bonds2

About 7-propan-2-yloxy-2,3,4,5-tetrahydro-1H-isoindole

7-propan-2-yloxy-2,3,4,5-tetrahydro-1H-isoindole (PubChem CID 176925071) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 7-propan-2-yloxy-2,3,4,5-tetrahydro-1H-isoindole.

Molecular Properties

Compound Name7-propan-2-yloxy-2,3,4,5-tetrahydro-1H-isoindole
PubChem CID176925071
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name7-propan-2-yloxy-2,3,4,5-tetrahydro-1H-isoindole
SMILESCC(C)OC1=CCCC2=C1CNC2
InChIInChI=1S/C11H17NO/c1-8(2)13-11-5-3-4-9-6-12-7-10(9)11/h5,8,12H,3-4,6-7H2,1-2H3
InChIKeyLWLTZXQKEFVQCQ-UHFFFAOYSA-N
XLogP1.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-ethoxy-5-fluorocyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 89276342
1-[6-(4-fluoro-4-methylcyclohexa-1,5-dien-1-yl)oxycyclohexa-1,3-dien-1-yl]-N-methylmethanamine
CID 138502674
N-methyl-3-[(2E,4Z)-6-methylhepta-2,4,6-trien-3-yl]oxypentan-1-amine
CID 134242988
4-[(3E,5Z)-5-methylocta-3,5-dien-4-yl]oxypiperidine
CID 142944388
4-[(2E,4Z)-7-methyl-6-methylideneocta-2,4-dien-3-yl]oxypiperidine
CID 143457436
1-(6-butan-2-yloxycyclohexa-1,3-dien-1-yl)-N-methylmethanamine
CID 144515588
Molecular hydrogen;5-propan-2-yloxy-1,2,3,4,7,8-hexahydroisoquinoline
CID 176923381
7-cyclobutyloxy-2,3,4,5-tetrahydro-1H-isoindole
CID 176924704
4-methyl-5-[(E)-1-propan-2-yloxybut-1-enyl]-1,2,3,6-tetrahydropyridine
CID 176924891
4-[(1E,4Z)-5-methylcycloocta-1,4,7-trien-1-yl]oxypiperidine
CID 143115624
(E,3Z)-2-[3-(ethylamino)propoxy]-3-(4-propyl-1,2-dihydropyrrol-3-ylidene)prop-1-en-1-amine
CID 143680515
5-(1-Ethoxyethenyl)-4-methyl-1,2,3,6-tetrahydropyridine
CID 165862526

Frequently Asked Questions

What is the IUPAC name of 7-propan-2-yloxy-2,3,4,5-tetrahydro-1H-isoindole?
The IUPAC name of 7-propan-2-yloxy-2,3,4,5-tetrahydro-1H-isoindole (CID 176925071) is 7-propan-2-yloxy-2,3,4,5-tetrahydro-1H-isoindole.
What is the SMILES notation for 7-propan-2-yloxy-2,3,4,5-tetrahydro-1H-isoindole?
The canonical SMILES for 7-propan-2-yloxy-2,3,4,5-tetrahydro-1H-isoindole is CC(C)OC1=CCCC2=C1CNC2.
What is the InChIKey of 7-propan-2-yloxy-2,3,4,5-tetrahydro-1H-isoindole?
The InChIKey is LWLTZXQKEFVQCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-8(2)13-11-5-3-4-9-6-12-7-10(9)11/h5,8,12H,3-4,6-7H2,1-2H3.
What are the key properties of 7-propan-2-yloxy-2,3,4,5-tetrahydro-1H-isoindole?
7-propan-2-yloxy-2,3,4,5-tetrahydro-1H-isoindole has a molecular weight of 179.26 g/mol, XLogP of 1.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-propan-2-yloxy-2,3,4,5-tetrahydro-1H-isoindole is sourced from PubChem (CID 176925071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).