(7-amino-3,3,5-trimethyl-2H-indol-1-yl)-cyclopropylmethanone

C15H20N2O — CID 82478652

IUPAC(7-amino-3,3,5-trimethyl-2H-indol-1-yl)-cyclopropylmethanone
SMILESCc1cc(N)c2c(c1)C(C)(C)CN2C(=O)C1CC1
InChIInChI=1S/C15H20N2O/c1-9-6-11-13(12(16)7-9)17(8-15(11,2)3)14(18)10-4-5-10/h6-7,10H,4-5,8,16H2,1-3H3
InChIKeyHTODPRRTYQSOIA-UHFFFAOYSA-N
MW244.34 g/mol
LogP2.61
Rot. Bonds1

About (7-amino-3,3,5-trimethyl-2H-indol-1-yl)-cyclopropylmethanone

(7-amino-3,3,5-trimethyl-2H-indol-1-yl)-cyclopropylmethanone (PubChem CID 82478652) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (7-amino-3,3,5-trimethyl-2H-indol-1-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(7-amino-3,3,5-trimethyl-2H-indol-1-yl)-cyclopropylmethanone
PubChem CID82478652
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(7-amino-3,3,5-trimethyl-2H-indol-1-yl)-cyclopropylmethanone
SMILESCc1cc(N)c2c(c1)C(C)(C)CN2C(=O)C1CC1
InChIInChI=1S/C15H20N2O/c1-9-6-11-13(12(16)7-9)17(8-15(11,2)3)14(18)10-4-5-10/h6-7,10H,4-5,8,16H2,1-3H3
InChIKeyHTODPRRTYQSOIA-UHFFFAOYSA-N
XLogP2.61
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (7-amino-3,3,5-trimethyl-2H-indol-1-yl)-cyclopropylmethanone?
The IUPAC name of (7-amino-3,3,5-trimethyl-2H-indol-1-yl)-cyclopropylmethanone (CID 82478652) is (7-amino-3,3,5-trimethyl-2H-indol-1-yl)-cyclopropylmethanone.
What is the SMILES notation for (7-amino-3,3,5-trimethyl-2H-indol-1-yl)-cyclopropylmethanone?
The canonical SMILES for (7-amino-3,3,5-trimethyl-2H-indol-1-yl)-cyclopropylmethanone is Cc1cc(N)c2c(c1)C(C)(C)CN2C(=O)C1CC1.
What is the InChIKey of (7-amino-3,3,5-trimethyl-2H-indol-1-yl)-cyclopropylmethanone?
The InChIKey is HTODPRRTYQSOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-9-6-11-13(12(16)7-9)17(8-15(11,2)3)14(18)10-4-5-10/h6-7,10H,4-5,8,16H2,1-3H3.
What are the key properties of (7-amino-3,3,5-trimethyl-2H-indol-1-yl)-cyclopropylmethanone?
(7-amino-3,3,5-trimethyl-2H-indol-1-yl)-cyclopropylmethanone has a molecular weight of 244.34 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7-amino-3,3,5-trimethyl-2H-indol-1-yl)-cyclopropylmethanone is sourced from PubChem (CID 82478652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).