7-methyl-5-prop-2-ynoxy-2,3-dihydro-1H-indole

C12H13NO — CID 87591795

IUPAC7-methyl-5-prop-2-ynoxy-2,3-dihydro-1H-indole
SMILESC#CCOc1cc(C)c2c(c1)CCN2
InChIInChI=1S/C12H13NO/c1-3-6-14-11-7-9(2)12-10(8-11)4-5-13-12/h1,7-8,13H,4-6H2,2H3
InChIKeyIQVZZRNUIXPLQQ-UHFFFAOYSA-N
MW187.24 g/mol
LogP1.98
Rot. Bonds2

About 7-methyl-5-prop-2-ynoxy-2,3-dihydro-1H-indole

7-methyl-5-prop-2-ynoxy-2,3-dihydro-1H-indole (PubChem CID 87591795) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 7-methyl-5-prop-2-ynoxy-2,3-dihydro-1H-indole.

Molecular Properties

Compound Name7-methyl-5-prop-2-ynoxy-2,3-dihydro-1H-indole
PubChem CID87591795
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name7-methyl-5-prop-2-ynoxy-2,3-dihydro-1H-indole
SMILESC#CCOc1cc(C)c2c(c1)CCN2
InChIInChI=1S/C12H13NO/c1-3-6-14-11-7-9(2)12-10(8-11)4-5-13-12/h1,7-8,13H,4-6H2,2H3
InChIKeyIQVZZRNUIXPLQQ-UHFFFAOYSA-N
XLogP1.98
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

7-prop-2-ynoxy-3,4-dihydro-2H-isoquinolin-1-one
CID 71428183
5,17-ditert-butyl-11,23-bis(prop-2-ynoxy)pentacyclo[19.3.1.13,7.19,13.115,19]octacosa-1(24),3,5,7(28),9,11,13(27),15(26),16,18,21(25),22-dodecaene-25,26,27,28-tetrol
CID 25229351
3-methyl-5-prop-2-ynoxyphenol
CID 87477485
3-methyl-5-prop-2-ynoxyaniline
CID 123389382
19-prop-2-ynoxy-3,6,9,12,15,21-hexazabicyclo[15.3.1]henicosa-1(20),17(21),18-triene-2,16-dione
CID 154706911
2-methyl-4-prop-2-ynoxybenzaldehyde
CID 79119365
tert-butyl N-(7-methyl-2,3-dihydro-1H-indol-5-yl)carbamate
CID 117274564
2-bromo-1-methyl-4-prop-2-ynoxybenzene
CID 131137666
methyl 3,5-bis(prop-2-ynoxy)benzoate
CID 3566176
2,6-bis(prop-2-ynoxy)naphthalene
CID 12710422
2-methyl-3-prop-2-ynoxynaphthalene
CID 167077991
7-bromo-5-methyl-2,3-dihydro-1H-indole
CID 16789330

Frequently Asked Questions

What is the IUPAC name of 7-methyl-5-prop-2-ynoxy-2,3-dihydro-1H-indole?
The IUPAC name of 7-methyl-5-prop-2-ynoxy-2,3-dihydro-1H-indole (CID 87591795) is 7-methyl-5-prop-2-ynoxy-2,3-dihydro-1H-indole.
What is the SMILES notation for 7-methyl-5-prop-2-ynoxy-2,3-dihydro-1H-indole?
The canonical SMILES for 7-methyl-5-prop-2-ynoxy-2,3-dihydro-1H-indole is C#CCOc1cc(C)c2c(c1)CCN2.
What is the InChIKey of 7-methyl-5-prop-2-ynoxy-2,3-dihydro-1H-indole?
The InChIKey is IQVZZRNUIXPLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-3-6-14-11-7-9(2)12-10(8-11)4-5-13-12/h1,7-8,13H,4-6H2,2H3.
What are the key properties of 7-methyl-5-prop-2-ynoxy-2,3-dihydro-1H-indole?
7-methyl-5-prop-2-ynoxy-2,3-dihydro-1H-indole has a molecular weight of 187.24 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-5-prop-2-ynoxy-2,3-dihydro-1H-indole is sourced from PubChem (CID 87591795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).