trans-(1S,2S)-N,N,2-trimethyl-2-phenylcyclopropane-1-carboxamide

C13H17NO — CID 102346586

IUPACtrans-(1S,2S)-N,N,2-trimethyl-2-phenylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)[C@H]1C[C@]1(C)c1ccccc1
InChIInChI=1S/C13H17NO/c1-13(10-7-5-4-6-8-10)9-11(13)12(15)14(2)3/h4-8,11H,9H2,1-3H3/t11-,13-/m1/s1
InChIKeyVJDBYUQSRZHZFG-DGCLKSJQSA-N
MW203.28 g/mol
LogP2.05
Rot. Bonds2

About trans-(1S,2S)-N,N,2-trimethyl-2-phenylcyclopropane-1-carboxamide

trans-(1S,2S)-N,N,2-trimethyl-2-phenylcyclopropane-1-carboxamide (PubChem CID 102346586) has the molecular formula C13H17NO and a molecular weight of 203.28 g/mol. Its IUPAC name is trans-(1S,2S)-N,N,2-trimethyl-2-phenylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N,N,2-trimethyl-2-phenylcyclopropane-1-carboxamide
PubChem CID102346586
Molecular FormulaC13H17NO
Molecular Weight203.28 g/mol
Exact Mass203.13
IUPAC Nametrans-(1S,2S)-N,N,2-trimethyl-2-phenylcyclopropane-1-carboxamide
SMILESCN(C)C(=O)[C@H]1C[C@]1(C)c1ccccc1
InChIInChI=1S/C13H17NO/c1-13(10-7-5-4-6-8-10)9-11(13)12(15)14(2)3/h4-8,11H,9H2,1-3H3/t11-,13-/m1/s1
InChIKeyVJDBYUQSRZHZFG-DGCLKSJQSA-N
XLogP2.05
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.28
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze trans-(1S,2S)-N,N,2-trimethyl-2-phenylcyclopropane-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N,N,2-trimethyl-2-phenylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N,N,2-trimethyl-2-phenylcyclopropane-1-carboxamide (CID 102346586) is trans-(1S,2S)-N,N,2-trimethyl-2-phenylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N,N,2-trimethyl-2-phenylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N,N,2-trimethyl-2-phenylcyclopropane-1-carboxamide is CN(C)C(=O)[C@H]1C[C@]1(C)c1ccccc1.
What is the InChIKey of trans-(1S,2S)-N,N,2-trimethyl-2-phenylcyclopropane-1-carboxamide?
The InChIKey is VJDBYUQSRZHZFG-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H17NO/c1-13(10-7-5-4-6-8-10)9-11(13)12(15)14(2)3/h4-8,11H,9H2,1-3H3/t11-,13-/m1/s1.
What are the key properties of trans-(1S,2S)-N,N,2-trimethyl-2-phenylcyclopropane-1-carboxamide?
trans-(1S,2S)-N,N,2-trimethyl-2-phenylcyclopropane-1-carboxamide has a molecular weight of 203.28 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N,N,2-trimethyl-2-phenylcyclopropane-1-carboxamide is sourced from PubChem (CID 102346586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).