methyl 1-(cyclopenta-1,3-diene-1-carbonylamino)cyclopropane-1-carboxylate

C11H13NO3 — CID 141293142

IUPACmethyl 1-(cyclopenta-1,3-diene-1-carbonylamino)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C2=CC=CC2)CC1
InChIInChI=1S/C11H13NO3/c1-15-10(14)11(6-7-11)12-9(13)8-4-2-3-5-8/h2-4H,5-7H2,1H3,(H,12,13)
InChIKeyPLHYMFRPEFUUQQ-UHFFFAOYSA-N
MW207.23 g/mol
LogP0.69
Rot. Bonds3

About methyl 1-(cyclopenta-1,3-diene-1-carbonylamino)cyclopropane-1-carboxylate

methyl 1-(cyclopenta-1,3-diene-1-carbonylamino)cyclopropane-1-carboxylate (PubChem CID 141293142) has the molecular formula C11H13NO3 and a molecular weight of 207.23 g/mol. Its IUPAC name is methyl 1-(cyclopenta-1,3-diene-1-carbonylamino)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(cyclopenta-1,3-diene-1-carbonylamino)cyclopropane-1-carboxylate
PubChem CID141293142
Molecular FormulaC11H13NO3
Molecular Weight207.23 g/mol
Exact Mass207.09
IUPAC Namemethyl 1-(cyclopenta-1,3-diene-1-carbonylamino)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)C2=CC=CC2)CC1
InChIInChI=1S/C11H13NO3/c1-15-10(14)11(6-7-11)12-9(13)8-4-2-3-5-8/h2-4H,5-7H2,1H3,(H,12,13)
InChIKeyPLHYMFRPEFUUQQ-UHFFFAOYSA-N
XLogP0.69
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.23
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylic acid;methyl 1-(cyclopentene-1-carbonylamino)cyclohexane-1-carboxylate
CID 161429718
methyl 1-[(6-chloropyridine-3-carbonyl)amino]cyclopropane-1-carboxylate
CID 117062757
methyl 1-[(2-aminobenzoyl)amino]cyclohexane-1-carboxylate
CID 139798702
methyl 1-[(2-iodobenzoyl)amino]cycloheptane-1-carboxylate
CID 30806055
methyl 1-acetamido-4-oxocyclohexane-1-carboxylate
CID 10584690
methyl 1-[(5-methyl-1H-pyrazole-3-carbonyl)amino]cyclopentane-1-carboxylate
CID 47355117
methyl 1-[(5-amino-2-methylbenzoyl)amino]cyclohexane-1-carboxylate
CID 120619655
3-(cyclopenta-1,3-diene-1-carbonylamino)propanoic acid
CID 59440444
cyclopenta-1,3-diene-1-carboxylic acid;N-hydroperoxyhydroxylamine
CID 91339514
methyl 1-[(5-methylpyridine-3-carbonyl)amino]cyclopentane-1-carboxylate
CID 71995092
methyl 4-methyl-1-[(2-methylfuran-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 51084600
methyl 1-[[1-(4-fluorophenyl)-6-oxopyridazine-3-carbonyl]amino]cyclohexane-1-carboxylate
CID 51114145

Frequently Asked Questions

What is the IUPAC name of methyl 1-(cyclopenta-1,3-diene-1-carbonylamino)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(cyclopenta-1,3-diene-1-carbonylamino)cyclopropane-1-carboxylate (CID 141293142) is methyl 1-(cyclopenta-1,3-diene-1-carbonylamino)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(cyclopenta-1,3-diene-1-carbonylamino)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(cyclopenta-1,3-diene-1-carbonylamino)cyclopropane-1-carboxylate is COC(=O)C1(NC(=O)C2=CC=CC2)CC1.
What is the InChIKey of methyl 1-(cyclopenta-1,3-diene-1-carbonylamino)cyclopropane-1-carboxylate?
The InChIKey is PLHYMFRPEFUUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO3/c1-15-10(14)11(6-7-11)12-9(13)8-4-2-3-5-8/h2-4H,5-7H2,1H3,(H,12,13).
What are the key properties of methyl 1-(cyclopenta-1,3-diene-1-carbonylamino)cyclopropane-1-carboxylate?
methyl 1-(cyclopenta-1,3-diene-1-carbonylamino)cyclopropane-1-carboxylate has a molecular weight of 207.23 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(cyclopenta-1,3-diene-1-carbonylamino)cyclopropane-1-carboxylate is sourced from PubChem (CID 141293142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).