2-[1-[(7-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopropyl]acetonitrile

C15H15BrN2 — CID 66738757

IUPAC2-[1-[(7-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopropyl]acetonitrile
SMILESCc1[nH]c2c(Br)cccc2c1CC1(CC#N)CC1
InChIInChI=1S/C15H15BrN2/c1-10-12(9-15(5-6-15)7-8-17)11-3-2-4-13(16)14(11)18-10/h2-4,18H,5-7,9H2,1H3
InChIKeyVBMFYZWQRINDCN-UHFFFAOYSA-N
MW303.20 g/mol
LogP4.48
Rot. Bonds3

About 2-[1-[(7-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopropyl]acetonitrile

2-[1-[(7-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopropyl]acetonitrile (PubChem CID 66738757) has the molecular formula C15H15BrN2 and a molecular weight of 303.20 g/mol. Its IUPAC name is 2-[1-[(7-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopropyl]acetonitrile.

Molecular Properties

Compound Name2-[1-[(7-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopropyl]acetonitrile
PubChem CID66738757
Molecular FormulaC15H15BrN2
Molecular Weight303.20 g/mol
Exact Mass302.04
IUPAC Name2-[1-[(7-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopropyl]acetonitrile
SMILESCc1[nH]c2c(Br)cccc2c1CC1(CC#N)CC1
InChIInChI=1S/C15H15BrN2/c1-10-12(9-15(5-6-15)7-8-17)11-3-2-4-13(16)14(11)18-10/h2-4,18H,5-7,9H2,1H3
InChIKeyVBMFYZWQRINDCN-UHFFFAOYSA-N
XLogP4.48
TPSA39.58 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.20
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[(7-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopropyl]acetonitrile?
The IUPAC name of 2-[1-[(7-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopropyl]acetonitrile (CID 66738757) is 2-[1-[(7-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopropyl]acetonitrile.
What is the SMILES notation for 2-[1-[(7-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopropyl]acetonitrile?
The canonical SMILES for 2-[1-[(7-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopropyl]acetonitrile is Cc1[nH]c2c(Br)cccc2c1CC1(CC#N)CC1.
What is the InChIKey of 2-[1-[(7-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopropyl]acetonitrile?
The InChIKey is VBMFYZWQRINDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN2/c1-10-12(9-15(5-6-15)7-8-17)11-3-2-4-13(16)14(11)18-10/h2-4,18H,5-7,9H2,1H3.
What are the key properties of 2-[1-[(7-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopropyl]acetonitrile?
2-[1-[(7-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopropyl]acetonitrile has a molecular weight of 303.20 g/mol, XLogP of 4.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(7-bromo-2-methyl-1H-indol-3-yl)methyl]cyclopropyl]acetonitrile is sourced from PubChem (CID 66738757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).