trans-(1S,2R)-N,2-di(propan-2-yl)cyclopropane-1-carboxamide

C10H19NO — CID 59801896

IUPACtrans-(1S,2R)-N,2-di(propan-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)NC(=O)[C@H]1C[C@@H]1C(C)C
InChIInChI=1S/C10H19NO/c1-6(2)8-5-9(8)10(12)11-7(3)4/h6-9H,5H2,1-4H3,(H,11,12)/t8-,9+/m1/s1
InChIKeyVVGVDZAMMWZKJZ-BDAKNGLRSA-N
MW169.27 g/mol
LogP1.80
Rot. Bonds3

About trans-(1S,2R)-N,2-di(propan-2-yl)cyclopropane-1-carboxamide

trans-(1S,2R)-N,2-di(propan-2-yl)cyclopropane-1-carboxamide (PubChem CID 59801896) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is trans-(1S,2R)-N,2-di(propan-2-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2R)-N,2-di(propan-2-yl)cyclopropane-1-carboxamide
PubChem CID59801896
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Nametrans-(1S,2R)-N,2-di(propan-2-yl)cyclopropane-1-carboxamide
SMILESCC(C)NC(=O)[C@H]1C[C@@H]1C(C)C
InChIInChI=1S/C10H19NO/c1-6(2)8-5-9(8)10(12)11-7(3)4/h6-9H,5H2,1-4H3,(H,11,12)/t8-,9+/m1/s1
InChIKeyVVGVDZAMMWZKJZ-BDAKNGLRSA-N
XLogP1.80
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-N,2-di(propan-2-yl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2R)-N,2-di(propan-2-yl)cyclopropane-1-carboxamide (CID 59801896) is trans-(1S,2R)-N,2-di(propan-2-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2R)-N,2-di(propan-2-yl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2R)-N,2-di(propan-2-yl)cyclopropane-1-carboxamide is CC(C)NC(=O)[C@H]1C[C@@H]1C(C)C.
What is the InChIKey of trans-(1S,2R)-N,2-di(propan-2-yl)cyclopropane-1-carboxamide?
The InChIKey is VVGVDZAMMWZKJZ-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H19NO/c1-6(2)8-5-9(8)10(12)11-7(3)4/h6-9H,5H2,1-4H3,(H,11,12)/t8-,9+/m1/s1.
What are the key properties of trans-(1S,2R)-N,2-di(propan-2-yl)cyclopropane-1-carboxamide?
trans-(1S,2R)-N,2-di(propan-2-yl)cyclopropane-1-carboxamide has a molecular weight of 169.27 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-N,2-di(propan-2-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 59801896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).