ethyl 1-[(4-methoxycyclohexa-1,3-dien-1-yl)methoxycarbonylamino]cyclopropane-1-carboxylate

C15H21NO5 — CID 123318540

IUPACethyl 1-[(4-methoxycyclohexa-1,3-dien-1-yl)methoxycarbonylamino]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)OCC2=CC=C(OC)CC2)CC1
InChIInChI=1S/C15H21NO5/c1-3-20-13(17)15(8-9-15)16-14(18)21-10-11-4-6-12(19-2)7-5-11/h4,6H,3,5,7-10H2,1-2H3,(H,16,18)
InChIKeyZYSOWOMTUGGGJF-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.06
Rot. Bonds6

About ethyl 1-[(4-methoxycyclohexa-1,3-dien-1-yl)methoxycarbonylamino]cyclopropane-1-carboxylate

ethyl 1-[(4-methoxycyclohexa-1,3-dien-1-yl)methoxycarbonylamino]cyclopropane-1-carboxylate (PubChem CID 123318540) has the molecular formula C15H21NO5 and a molecular weight of 295.33 g/mol. Its IUPAC name is ethyl 1-[(4-methoxycyclohexa-1,3-dien-1-yl)methoxycarbonylamino]cyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 1-[(4-methoxycyclohexa-1,3-dien-1-yl)methoxycarbonylamino]cyclopropane-1-carboxylate
PubChem CID123318540
Molecular FormulaC15H21NO5
Molecular Weight295.33 g/mol
Exact Mass295.14
IUPAC Nameethyl 1-[(4-methoxycyclohexa-1,3-dien-1-yl)methoxycarbonylamino]cyclopropane-1-carboxylate
SMILESCCOC(=O)C1(NC(=O)OCC2=CC=C(OC)CC2)CC1
InChIInChI=1S/C15H21NO5/c1-3-20-13(17)15(8-9-15)16-14(18)21-10-11-4-6-12(19-2)7-5-11/h4,6H,3,5,7-10H2,1-2H3,(H,16,18)
InChIKeyZYSOWOMTUGGGJF-UHFFFAOYSA-N
XLogP2.06
TPSA73.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 1-[(4-methoxycyclohexa-1,3-dien-1-yl)methoxycarbonylamino]cyclopropane-1-carboxylate with MolForge

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Related Compounds

benzyl N-[1-(hydroxymethyl)cyclopropyl]carbamate;ethyl 1-(phenylmethoxycarbonylamino)cyclopropane-1-carboxylate
CID 158945243
ethyl 1-[(1-ethoxycarbonylcyclopropyl)carbamoylamino]cyclopropane-1-carboxylate
CID 53399515
ethyl 1-[(2-chloroacetyl)amino]cyclopropane-1-carboxylate
CID 155893544
ethyl N-[1-(2-bromoacetyl)cyclopropyl]carbamate
CID 104701385
pentadecyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate
CID 91722475
nonyl 1-(ethoxycarbonylamino)cyclopentane-1-carboxylate
CID 91722454
ethyl 3-oxo-3-[1-(phenylmethoxycarbonylamino)cyclopropyl]propanoate
CID 134181852
ethyl 1-(3-oxobutanoylamino)cyclobutane-1-carboxylate
CID 88904490
ethyl 1-[(4-bromo-3-methylthiophene-2-carbonyl)amino]cyclopropane-1-carboxylate
CID 146291405
trans-ethyl (1S,3R)-3-cyano-1-(ethoxycarbonylamino)cyclopentane-1-carboxylate
CID 10912075
ethyl N-[1-(4-methoxyphenyl)cyclopropyl]carbamate
CID 113091172
(4-methoxycyclohexa-1,3-dien-1-yl)methanethiol
CID 90961704

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[(4-methoxycyclohexa-1,3-dien-1-yl)methoxycarbonylamino]cyclopropane-1-carboxylate?
The IUPAC name of ethyl 1-[(4-methoxycyclohexa-1,3-dien-1-yl)methoxycarbonylamino]cyclopropane-1-carboxylate (CID 123318540) is ethyl 1-[(4-methoxycyclohexa-1,3-dien-1-yl)methoxycarbonylamino]cyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 1-[(4-methoxycyclohexa-1,3-dien-1-yl)methoxycarbonylamino]cyclopropane-1-carboxylate?
The canonical SMILES for ethyl 1-[(4-methoxycyclohexa-1,3-dien-1-yl)methoxycarbonylamino]cyclopropane-1-carboxylate is CCOC(=O)C1(NC(=O)OCC2=CC=C(OC)CC2)CC1.
What is the InChIKey of ethyl 1-[(4-methoxycyclohexa-1,3-dien-1-yl)methoxycarbonylamino]cyclopropane-1-carboxylate?
The InChIKey is ZYSOWOMTUGGGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO5/c1-3-20-13(17)15(8-9-15)16-14(18)21-10-11-4-6-12(19-2)7-5-11/h4,6H,3,5,7-10H2,1-2H3,(H,16,18).
What are the key properties of ethyl 1-[(4-methoxycyclohexa-1,3-dien-1-yl)methoxycarbonylamino]cyclopropane-1-carboxylate?
ethyl 1-[(4-methoxycyclohexa-1,3-dien-1-yl)methoxycarbonylamino]cyclopropane-1-carboxylate has a molecular weight of 295.33 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[(4-methoxycyclohexa-1,3-dien-1-yl)methoxycarbonylamino]cyclopropane-1-carboxylate is sourced from PubChem (CID 123318540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).