trans-(1S,2R)-2-propan-2-ylcyclopropane-1-carboxamide

C7H13NO — CID 130399557

IUPACtrans-(1S,2R)-2-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)[C@H]1C[C@@H]1C(N)=O
InChIInChI=1S/C7H13NO/c1-4(2)5-3-6(5)7(8)9/h4-6H,3H2,1-2H3,(H2,8,9)/t5-,6+/m1/s1
InChIKeyABIKMUWEFUMATG-RITPCOANSA-N
MW127.19 g/mol
LogP0.76
Rot. Bonds2

About trans-(1S,2R)-2-propan-2-ylcyclopropane-1-carboxamide

trans-(1S,2R)-2-propan-2-ylcyclopropane-1-carboxamide (PubChem CID 130399557) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is trans-(1S,2R)-2-propan-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2R)-2-propan-2-ylcyclopropane-1-carboxamide
PubChem CID130399557
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Nametrans-(1S,2R)-2-propan-2-ylcyclopropane-1-carboxamide
SMILESCC(C)[C@H]1C[C@@H]1C(N)=O
InChIInChI=1S/C7H13NO/c1-4(2)5-3-6(5)7(8)9/h4-6H,3H2,1-2H3,(H2,8,9)/t5-,6+/m1/s1
InChIKeyABIKMUWEFUMATG-RITPCOANSA-N
XLogP0.76
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-2-propan-2-ylcyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2R)-2-propan-2-ylcyclopropane-1-carboxamide (CID 130399557) is trans-(1S,2R)-2-propan-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2R)-2-propan-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2R)-2-propan-2-ylcyclopropane-1-carboxamide is CC(C)[C@H]1C[C@@H]1C(N)=O.
What is the InChIKey of trans-(1S,2R)-2-propan-2-ylcyclopropane-1-carboxamide?
The InChIKey is ABIKMUWEFUMATG-RITPCOANSA-N. The full InChI is InChI=1S/C7H13NO/c1-4(2)5-3-6(5)7(8)9/h4-6H,3H2,1-2H3,(H2,8,9)/t5-,6+/m1/s1.
What are the key properties of trans-(1S,2R)-2-propan-2-ylcyclopropane-1-carboxamide?
trans-(1S,2R)-2-propan-2-ylcyclopropane-1-carboxamide has a molecular weight of 127.19 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-2-propan-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 130399557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).