N-but-2-en-2-yl-N,2-dimethylcyclopropane-1-carboxamide

C10H17NO — CID 123718616

IUPACN-but-2-en-2-yl-N,2-dimethylcyclopropane-1-carboxamide
SMILESCC=C(C)N(C)C(=O)C1CC1C
InChIInChI=1S/C10H17NO/c1-5-8(3)11(4)10(12)9-6-7(9)2/h5,7,9H,6H2,1-4H3
InChIKeyWMQYGGZOZBMWFJ-UHFFFAOYSA-N
MW167.25 g/mol
LogP2.02
Rot. Bonds2

About N-but-2-en-2-yl-N,2-dimethylcyclopropane-1-carboxamide

N-but-2-en-2-yl-N,2-dimethylcyclopropane-1-carboxamide (PubChem CID 123718616) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is N-but-2-en-2-yl-N,2-dimethylcyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-but-2-en-2-yl-N,2-dimethylcyclopropane-1-carboxamide
PubChem CID123718616
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC NameN-but-2-en-2-yl-N,2-dimethylcyclopropane-1-carboxamide
SMILESCC=C(C)N(C)C(=O)C1CC1C
InChIInChI=1S/C10H17NO/c1-5-8(3)11(4)10(12)9-6-7(9)2/h5,7,9H,6H2,1-4H3
InChIKeyWMQYGGZOZBMWFJ-UHFFFAOYSA-N
XLogP2.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-but-2-en-2-yl-N,2-dimethylcyclopropane-1-carboxamide?
The IUPAC name of N-but-2-en-2-yl-N,2-dimethylcyclopropane-1-carboxamide (CID 123718616) is N-but-2-en-2-yl-N,2-dimethylcyclopropane-1-carboxamide.
What is the SMILES notation for N-but-2-en-2-yl-N,2-dimethylcyclopropane-1-carboxamide?
The canonical SMILES for N-but-2-en-2-yl-N,2-dimethylcyclopropane-1-carboxamide is CC=C(C)N(C)C(=O)C1CC1C.
What is the InChIKey of N-but-2-en-2-yl-N,2-dimethylcyclopropane-1-carboxamide?
The InChIKey is WMQYGGZOZBMWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-5-8(3)11(4)10(12)9-6-7(9)2/h5,7,9H,6H2,1-4H3.
What are the key properties of N-but-2-en-2-yl-N,2-dimethylcyclopropane-1-carboxamide?
N-but-2-en-2-yl-N,2-dimethylcyclopropane-1-carboxamide has a molecular weight of 167.25 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-but-2-en-2-yl-N,2-dimethylcyclopropane-1-carboxamide is sourced from PubChem (CID 123718616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).