N-carbamoyl-N-(2,2,3,3-tetramethylcyclopropyl)formamide

C9H16N2O2 — CID 87704667

IUPACN-carbamoyl-N-(2,2,3,3-tetramethylcyclopropyl)formamide
SMILESCC1(C)C(N(C=O)C(N)=O)C1(C)C
InChIInChI=1S/C9H16N2O2/c1-8(2)6(9(8,3)4)11(5-12)7(10)13/h5-6H,1-4H3,(H2,10,13)
InChIKeyMFFPCFZSIMLBPR-UHFFFAOYSA-N
MW184.24 g/mol
LogP0.96
Rot. Bonds2

About N-carbamoyl-N-(2,2,3,3-tetramethylcyclopropyl)formamide

N-carbamoyl-N-(2,2,3,3-tetramethylcyclopropyl)formamide (PubChem CID 87704667) has the molecular formula C9H16N2O2 and a molecular weight of 184.24 g/mol. Its IUPAC name is N-carbamoyl-N-(2,2,3,3-tetramethylcyclopropyl)formamide.

Molecular Properties

Compound NameN-carbamoyl-N-(2,2,3,3-tetramethylcyclopropyl)formamide
PubChem CID87704667
Molecular FormulaC9H16N2O2
Molecular Weight184.24 g/mol
Exact Mass184.12
IUPAC NameN-carbamoyl-N-(2,2,3,3-tetramethylcyclopropyl)formamide
SMILESCC1(C)C(N(C=O)C(N)=O)C1(C)C
InChIInChI=1S/C9H16N2O2/c1-8(2)6(9(8,3)4)11(5-12)7(10)13/h5-6H,1-4H3,(H2,10,13)
InChIKeyMFFPCFZSIMLBPR-UHFFFAOYSA-N
XLogP0.96
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-N-(2,2,3,3-tetramethylcyclopropyl)formamide?
The IUPAC name of N-carbamoyl-N-(2,2,3,3-tetramethylcyclopropyl)formamide (CID 87704667) is N-carbamoyl-N-(2,2,3,3-tetramethylcyclopropyl)formamide.
What is the SMILES notation for N-carbamoyl-N-(2,2,3,3-tetramethylcyclopropyl)formamide?
The canonical SMILES for N-carbamoyl-N-(2,2,3,3-tetramethylcyclopropyl)formamide is CC1(C)C(N(C=O)C(N)=O)C1(C)C.
What is the InChIKey of N-carbamoyl-N-(2,2,3,3-tetramethylcyclopropyl)formamide?
The InChIKey is MFFPCFZSIMLBPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O2/c1-8(2)6(9(8,3)4)11(5-12)7(10)13/h5-6H,1-4H3,(H2,10,13).
What are the key properties of N-carbamoyl-N-(2,2,3,3-tetramethylcyclopropyl)formamide?
N-carbamoyl-N-(2,2,3,3-tetramethylcyclopropyl)formamide has a molecular weight of 184.24 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-N-(2,2,3,3-tetramethylcyclopropyl)formamide is sourced from PubChem (CID 87704667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).