trans-(1S,2S)-N-[(1R,2S)-2-cyclopropylcyclopropyl]-2-methylcyclopropane-1-carboxamide

C11H17NO — CID 131165871

IUPACtrans-(1S,2S)-N-[(1R,2S)-2-cyclopropylcyclopropyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H]1C1CC1
InChIInChI=1S/C11H17NO/c1-6-4-8(6)11(13)12-10-5-9(10)7-2-3-7/h6-10H,2-5H2,1H3,(H,12,13)/t6-,8-,9-,10+/m0/s1
InChIKeyWRRDIFPRUSMGCY-MIBSWOBISA-N
MW179.26 g/mol
LogP1.56
Rot. Bonds3

About trans-(1S,2S)-N-[(1R,2S)-2-cyclopropylcyclopropyl]-2-methylcyclopropane-1-carboxamide

trans-(1S,2S)-N-[(1R,2S)-2-cyclopropylcyclopropyl]-2-methylcyclopropane-1-carboxamide (PubChem CID 131165871) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is trans-(1S,2S)-N-[(1R,2S)-2-cyclopropylcyclopropyl]-2-methylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-[(1R,2S)-2-cyclopropylcyclopropyl]-2-methylcyclopropane-1-carboxamide
PubChem CID131165871
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Nametrans-(1S,2S)-N-[(1R,2S)-2-cyclopropylcyclopropyl]-2-methylcyclopropane-1-carboxamide
SMILESC[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H]1C1CC1
InChIInChI=1S/C11H17NO/c1-6-4-8(6)11(13)12-10-5-9(10)7-2-3-7/h6-10H,2-5H2,1H3,(H,12,13)/t6-,8-,9-,10+/m0/s1
InChIKeyWRRDIFPRUSMGCY-MIBSWOBISA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-N-[(1R,2S)-2-cyclopropylcyclopropyl]-2-methylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-[(1R,2S)-2-cyclopropylcyclopropyl]-2-methylcyclopropane-1-carboxamide (CID 131165871) is trans-(1S,2S)-N-[(1R,2S)-2-cyclopropylcyclopropyl]-2-methylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-[(1R,2S)-2-cyclopropylcyclopropyl]-2-methylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-[(1R,2S)-2-cyclopropylcyclopropyl]-2-methylcyclopropane-1-carboxamide is C[C@H]1C[C@@H]1C(=O)N[C@@H]1C[C@H]1C1CC1.
What is the InChIKey of trans-(1S,2S)-N-[(1R,2S)-2-cyclopropylcyclopropyl]-2-methylcyclopropane-1-carboxamide?
The InChIKey is WRRDIFPRUSMGCY-MIBSWOBISA-N. The full InChI is InChI=1S/C11H17NO/c1-6-4-8(6)11(13)12-10-5-9(10)7-2-3-7/h6-10H,2-5H2,1H3,(H,12,13)/t6-,8-,9-,10+/m0/s1.
What are the key properties of trans-(1S,2S)-N-[(1R,2S)-2-cyclopropylcyclopropyl]-2-methylcyclopropane-1-carboxamide?
trans-(1S,2S)-N-[(1R,2S)-2-cyclopropylcyclopropyl]-2-methylcyclopropane-1-carboxamide has a molecular weight of 179.26 g/mol, XLogP of 1.56, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-[(1R,2S)-2-cyclopropylcyclopropyl]-2-methylcyclopropane-1-carboxamide is sourced from PubChem (CID 131165871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).