trans-(1R,2R)-N-[cyano(cyclopropyl)methyl]-2-methylcyclopropane-1-carboxamide

C10H14N2O — CID 131201811

IUPACtrans-(1R,2R)-N-[cyano(cyclopropyl)methyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)NC(C#N)C1CC1
InChIInChI=1S/C10H14N2O/c1-6-4-8(6)10(13)12-9(5-11)7-2-3-7/h6-9H,2-4H2,1H3,(H,12,13)/t6-,8-,9?/m1/s1
InChIKeyOSEBGQHAJNQUFU-GLXOAHRXSA-N
MW178.23 g/mol
LogP1.06
Rot. Bonds3

About trans-(1R,2R)-N-[cyano(cyclopropyl)methyl]-2-methylcyclopropane-1-carboxamide

trans-(1R,2R)-N-[cyano(cyclopropyl)methyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 131201811) has the molecular formula C10H14N2O and a molecular weight of 178.23 g/mol. Its IUPAC name is trans-(1R,2R)-N-[cyano(cyclopropyl)methyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2R)-N-[cyano(cyclopropyl)methyl]-2-methylcyclopropane-1-carboxamide
PubChem CID131201811
Molecular FormulaC10H14N2O
Molecular Weight178.23 g/mol
Exact Mass178.11
IUPAC Nametrans-(1R,2R)-N-[cyano(cyclopropyl)methyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@@H]1C[C@H]1C(=O)NC(C#N)C1CC1
InChIInChI=1S/C10H14N2O/c1-6-4-8(6)10(13)12-9(5-11)7-2-3-7/h6-9H,2-4H2,1H3,(H,12,13)/t6-,8-,9?/m1/s1
InChIKeyOSEBGQHAJNQUFU-GLXOAHRXSA-N
XLogP1.06
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-N-[cyano(cyclopropyl)methyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1R,2R)-N-[cyano(cyclopropyl)methyl]-2-methylcyclopropane-1-carboxamide (CID 131201811) is trans-(1R,2R)-N-[cyano(cyclopropyl)methyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1R,2R)-N-[cyano(cyclopropyl)methyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1R,2R)-N-[cyano(cyclopropyl)methyl]-2-methylcyclopropane-1-carboxamide is C[C@@H]1C[C@H]1C(=O)NC(C#N)C1CC1.
What is the InChIKey of trans-(1R,2R)-N-[cyano(cyclopropyl)methyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is OSEBGQHAJNQUFU-GLXOAHRXSA-N. The full InChI is InChI=1S/C10H14N2O/c1-6-4-8(6)10(13)12-9(5-11)7-2-3-7/h6-9H,2-4H2,1H3,(H,12,13)/t6-,8-,9?/m1/s1.
What are the key properties of trans-(1R,2R)-N-[cyano(cyclopropyl)methyl]-2-methylcyclopropane-1-carboxamide?
trans-(1R,2R)-N-[cyano(cyclopropyl)methyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 178.23 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-N-[cyano(cyclopropyl)methyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 131201811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).