trans-(1R,2S)-N,N-dimethyl-2-propan-2-ylcyclobutane-1-carboxamide

C10H19NO — CID 59801978

IUPACtrans-(1R,2S)-N,N-dimethyl-2-propan-2-ylcyclobutane-1-carboxamide
SMILESCC(C)[C@@H]1CC[C@H]1C(=O)N(C)C
InChIInChI=1S/C10H19NO/c1-7(2)8-5-6-9(8)10(12)11(3)4/h7-9H,5-6H2,1-4H3/t8-,9+/m0/s1
InChIKeyZHWAQOKSNFKBBY-DTWKUNHWSA-N
MW169.27 g/mol
LogP1.76
Rot. Bonds2

About trans-(1R,2S)-N,N-dimethyl-2-propan-2-ylcyclobutane-1-carboxamide

trans-(1R,2S)-N,N-dimethyl-2-propan-2-ylcyclobutane-1-carboxamide (PubChem CID 59801978) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is trans-(1R,2S)-N,N-dimethyl-2-propan-2-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1R,2S)-N,N-dimethyl-2-propan-2-ylcyclobutane-1-carboxamide
PubChem CID59801978
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Nametrans-(1R,2S)-N,N-dimethyl-2-propan-2-ylcyclobutane-1-carboxamide
SMILESCC(C)[C@@H]1CC[C@H]1C(=O)N(C)C
InChIInChI=1S/C10H19NO/c1-7(2)8-5-6-9(8)10(12)11(3)4/h7-9H,5-6H2,1-4H3/t8-,9+/m0/s1
InChIKeyZHWAQOKSNFKBBY-DTWKUNHWSA-N
XLogP1.76
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,2S)-N,N-dimethyl-2-propan-2-ylcyclobutane-1-carboxamide?
The IUPAC name of trans-(1R,2S)-N,N-dimethyl-2-propan-2-ylcyclobutane-1-carboxamide (CID 59801978) is trans-(1R,2S)-N,N-dimethyl-2-propan-2-ylcyclobutane-1-carboxamide.
What is the SMILES notation for trans-(1R,2S)-N,N-dimethyl-2-propan-2-ylcyclobutane-1-carboxamide?
The canonical SMILES for trans-(1R,2S)-N,N-dimethyl-2-propan-2-ylcyclobutane-1-carboxamide is CC(C)[C@@H]1CC[C@H]1C(=O)N(C)C.
What is the InChIKey of trans-(1R,2S)-N,N-dimethyl-2-propan-2-ylcyclobutane-1-carboxamide?
The InChIKey is ZHWAQOKSNFKBBY-DTWKUNHWSA-N. The full InChI is InChI=1S/C10H19NO/c1-7(2)8-5-6-9(8)10(12)11(3)4/h7-9H,5-6H2,1-4H3/t8-,9+/m0/s1.
What are the key properties of trans-(1R,2S)-N,N-dimethyl-2-propan-2-ylcyclobutane-1-carboxamide?
trans-(1R,2S)-N,N-dimethyl-2-propan-2-ylcyclobutane-1-carboxamide has a molecular weight of 169.27 g/mol, XLogP of 1.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2S)-N,N-dimethyl-2-propan-2-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 59801978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).