1-cyclopropylcyclohexa-3,5-diene-1,3-dicarboxamide

C11H14N2O2 — CID 154390068

IUPAC1-cyclopropylcyclohexa-3,5-diene-1,3-dicarboxamide
SMILESNC(=O)C1=CC=CC(C(N)=O)(C2CC2)C1
InChIInChI=1S/C11H14N2O2/c12-9(14)7-2-1-5-11(6-7,10(13)15)8-3-4-8/h1-2,5,8H,3-4,6H2,(H2,12,14)(H2,13,15)
InChIKeyNAJLNRWDQOHFMU-UHFFFAOYSA-N
MW206.24 g/mol
LogP0.24
Rot. Bonds3

About 1-cyclopropylcyclohexa-3,5-diene-1,3-dicarboxamide

1-cyclopropylcyclohexa-3,5-diene-1,3-dicarboxamide (PubChem CID 154390068) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 1-cyclopropylcyclohexa-3,5-diene-1,3-dicarboxamide.

Molecular Properties

Compound Name1-cyclopropylcyclohexa-3,5-diene-1,3-dicarboxamide
PubChem CID154390068
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name1-cyclopropylcyclohexa-3,5-diene-1,3-dicarboxamide
SMILESNC(=O)C1=CC=CC(C(N)=O)(C2CC2)C1
InChIInChI=1S/C11H14N2O2/c12-9(14)7-2-1-5-11(6-7,10(13)15)8-3-4-8/h1-2,5,8H,3-4,6H2,(H2,12,14)(H2,13,15)
InChIKeyNAJLNRWDQOHFMU-UHFFFAOYSA-N
XLogP0.24
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2,2,2-trifluoroethyl)cyclohexa-3,5-diene-1,3-dicarboxamide
CID 175781339
1-pentylcyclohexa-3,5-diene-1,3-dicarboxamide
CID 152768164
5-methoxy-5-(4-methoxyphenyl)cyclohexa-1,3-diene-1-carboxamide
CID 154345580
5-amino-5-methylcyclohexa-1,3-diene-1-carboxylic acid
CID 19605004
5-(6-amino-1,6-dihydropyridazin-4-yl)-5-methylcyclohexa-1,3-diene-1-carboxamide
CID 142783791
5-(2,3-dihydroxypropoxy)-5-methoxycyclohexa-1,3-diene-1-carboxamide
CID 67946506
1-hydroxycyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 22182299
1-[4-methoxy-3-(trifluoromethyl)phenyl]cyclohexa-3,5-diene-1,3-dicarboxamide
CID 69480217
1-methyl-1,2-dihydropyridin-1-ium-3-carboxamide iodide
CID 131698603
1-cyclopropyl-5-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 151940722
carbamodithioic acid;formic acid;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 175313602
ethynylcyclopropane;1-methylcyclohexa-3,5-diene-1,3-dicarboxylic acid
CID 159571959

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropylcyclohexa-3,5-diene-1,3-dicarboxamide?
The IUPAC name of 1-cyclopropylcyclohexa-3,5-diene-1,3-dicarboxamide (CID 154390068) is 1-cyclopropylcyclohexa-3,5-diene-1,3-dicarboxamide.
What is the SMILES notation for 1-cyclopropylcyclohexa-3,5-diene-1,3-dicarboxamide?
The canonical SMILES for 1-cyclopropylcyclohexa-3,5-diene-1,3-dicarboxamide is NC(=O)C1=CC=CC(C(N)=O)(C2CC2)C1.
What is the InChIKey of 1-cyclopropylcyclohexa-3,5-diene-1,3-dicarboxamide?
The InChIKey is NAJLNRWDQOHFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c12-9(14)7-2-1-5-11(6-7,10(13)15)8-3-4-8/h1-2,5,8H,3-4,6H2,(H2,12,14)(H2,13,15).
What are the key properties of 1-cyclopropylcyclohexa-3,5-diene-1,3-dicarboxamide?
1-cyclopropylcyclohexa-3,5-diene-1,3-dicarboxamide has a molecular weight of 206.24 g/mol, XLogP of 0.24, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropylcyclohexa-3,5-diene-1,3-dicarboxamide is sourced from PubChem (CID 154390068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).