(1R,2S)-1',5'-dimethyl-2'-methylidenespiro[cyclopropane-2,3'-indole]-1-carboxamide

C14H16N2O — CID 175616152

IUPAC(1R,2S)-1',5'-dimethyl-2'-methylidenespiro[cyclopropane-2,3'-indole]-1-carboxamide
SMILESC=C1N(C)c2ccc(C)cc2[C@@]12C[C@H]2C(N)=O
InChIInChI=1S/C14H16N2O/c1-8-4-5-12-10(6-8)14(9(2)16(12)3)7-11(14)13(15)17/h4-6,11H,2,7H2,1,3H3,(H2,15,17)/t11-,14+/m0/s1
InChIKeyTYKRCBDXAPFLOH-SMDDNHRTSA-N
MW228.29 g/mol
LogP1.70
Rot. Bonds1

About (1R,2S)-1',5'-dimethyl-2'-methylidenespiro[cyclopropane-2,3'-indole]-1-carboxamide

(1R,2S)-1',5'-dimethyl-2'-methylidenespiro[cyclopropane-2,3'-indole]-1-carboxamide (PubChem CID 175616152) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is (1R,2S)-1',5'-dimethyl-2'-methylidenespiro[cyclopropane-2,3'-indole]-1-carboxamide.

Molecular Properties

Compound Name(1R,2S)-1',5'-dimethyl-2'-methylidenespiro[cyclopropane-2,3'-indole]-1-carboxamide
PubChem CID175616152
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name(1R,2S)-1',5'-dimethyl-2'-methylidenespiro[cyclopropane-2,3'-indole]-1-carboxamide
SMILESC=C1N(C)c2ccc(C)cc2[C@@]12C[C@H]2C(N)=O
InChIInChI=1S/C14H16N2O/c1-8-4-5-12-10(6-8)14(9(2)16(12)3)7-11(14)13(15)17/h4-6,11H,2,7H2,1,3H3,(H2,15,17)/t11-,14+/m0/s1
InChIKeyTYKRCBDXAPFLOH-SMDDNHRTSA-N
XLogP1.70
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-1',5'-dimethyl-2'-methylidenespiro[cyclopropane-2,3'-indole]-1-carboxamide?
The IUPAC name of (1R,2S)-1',5'-dimethyl-2'-methylidenespiro[cyclopropane-2,3'-indole]-1-carboxamide (CID 175616152) is (1R,2S)-1',5'-dimethyl-2'-methylidenespiro[cyclopropane-2,3'-indole]-1-carboxamide.
What is the SMILES notation for (1R,2S)-1',5'-dimethyl-2'-methylidenespiro[cyclopropane-2,3'-indole]-1-carboxamide?
The canonical SMILES for (1R,2S)-1',5'-dimethyl-2'-methylidenespiro[cyclopropane-2,3'-indole]-1-carboxamide is C=C1N(C)c2ccc(C)cc2[C@@]12C[C@H]2C(N)=O.
What is the InChIKey of (1R,2S)-1',5'-dimethyl-2'-methylidenespiro[cyclopropane-2,3'-indole]-1-carboxamide?
The InChIKey is TYKRCBDXAPFLOH-SMDDNHRTSA-N. The full InChI is InChI=1S/C14H16N2O/c1-8-4-5-12-10(6-8)14(9(2)16(12)3)7-11(14)13(15)17/h4-6,11H,2,7H2,1,3H3,(H2,15,17)/t11-,14+/m0/s1.
What are the key properties of (1R,2S)-1',5'-dimethyl-2'-methylidenespiro[cyclopropane-2,3'-indole]-1-carboxamide?
(1R,2S)-1',5'-dimethyl-2'-methylidenespiro[cyclopropane-2,3'-indole]-1-carboxamide has a molecular weight of 228.29 g/mol, XLogP of 1.70, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-1',5'-dimethyl-2'-methylidenespiro[cyclopropane-2,3'-indole]-1-carboxamide is sourced from PubChem (CID 175616152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).