4-(1-methylcyclobutyl)oxy-2,3-dihydro-1H-indole

C13H17NO — CID 115074311

IUPAC4-(1-methylcyclobutyl)oxy-2,3-dihydro-1H-indole
SMILESCC1(Oc2cccc3c2CCN3)CCC1
InChIInChI=1S/C13H17NO/c1-13(7-3-8-13)15-12-5-2-4-11-10(12)6-9-14-11/h2,4-5,14H,3,6-9H2,1H3
InChIKeyWCNJSKVSCGPFLW-UHFFFAOYSA-N
MW203.28 g/mol
LogP2.98
Rot. Bonds2

About 4-(1-methylcyclobutyl)oxy-2,3-dihydro-1H-indole

4-(1-methylcyclobutyl)oxy-2,3-dihydro-1H-indole (PubChem CID 115074311) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is 4-(1-methylcyclobutyl)oxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name4-(1-methylcyclobutyl)oxy-2,3-dihydro-1H-indole
PubChem CID115074311
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Name4-(1-methylcyclobutyl)oxy-2,3-dihydro-1H-indole
SMILESCC1(Oc2cccc3c2CCN3)CCC1
InChIInChI=1S/C13H17NO/c1-13(7-3-8-13)15-12-5-2-4-11-10(12)6-9-14-11/h2,4-5,14H,3,6-9H2,1H3
InChIKeyWCNJSKVSCGPFLW-UHFFFAOYSA-N
XLogP2.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(4-methylpiperidin-4-yl)oxy-2,3-dihydro-1H-indole
CID 115074334
4-methyl-4-(1,2,3,4-tetrahydroquinolin-5-yloxy)thiane 1,1-dioxide
CID 115075054
4-(1-ethyl-3-methylazetidin-3-yl)oxy-2,3-dihydro-1H-indole
CID 115074411
5-(1-methylcyclobutyl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076117
4-[(1,4,4-trimethylcyclohexyl)methoxy]-2,3-dihydro-1H-indole
CID 115074397
4-[(1,3,3-trimethylcyclopentyl)methoxy]-2,3-dihydro-1H-indole
CID 115074393
4-[(3-methylpyrrolidin-3-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074421
4-[(1,4-dimethylpiperidin-4-yl)methoxy]-2,3-dihydro-1H-indole
CID 115074436
5-methoxy-1,2,3,4-tetrahydroquinoline;dihydrochloride
CID 133058760
5-[(1,4,4-trimethylcyclohexyl)methoxy]-1,2,3,4-tetrahydroquinoline
CID 115075120
5-(4-methyloxan-4-yl)oxy-1,2,3,4-tetrahydroisoquinoline
CID 115076136
5-(1-methylcyclopentyl)oxy-2,3-dihydro-1H-indole
CID 115074494

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylcyclobutyl)oxy-2,3-dihydro-1H-indole?
The IUPAC name of 4-(1-methylcyclobutyl)oxy-2,3-dihydro-1H-indole (CID 115074311) is 4-(1-methylcyclobutyl)oxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 4-(1-methylcyclobutyl)oxy-2,3-dihydro-1H-indole?
The canonical SMILES for 4-(1-methylcyclobutyl)oxy-2,3-dihydro-1H-indole is CC1(Oc2cccc3c2CCN3)CCC1.
What is the InChIKey of 4-(1-methylcyclobutyl)oxy-2,3-dihydro-1H-indole?
The InChIKey is WCNJSKVSCGPFLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO/c1-13(7-3-8-13)15-12-5-2-4-11-10(12)6-9-14-11/h2,4-5,14H,3,6-9H2,1H3.
What are the key properties of 4-(1-methylcyclobutyl)oxy-2,3-dihydro-1H-indole?
4-(1-methylcyclobutyl)oxy-2,3-dihydro-1H-indole has a molecular weight of 203.28 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylcyclobutyl)oxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 115074311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).