tert-butyl N-[1-[(2-acetyl-3-chloropyrrol-1-yl)carbamoyl]cyclopropyl]carbamate

C15H20ClN3O4 — CID 144706555

IUPACtert-butyl N-[1-[(2-acetyl-3-chloropyrrol-1-yl)carbamoyl]cyclopropyl]carbamate
SMILESCC(=O)c1c(Cl)ccn1NC(=O)C1(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H20ClN3O4/c1-9(20)11-10(16)5-8-19(11)18-12(21)15(6-7-15)17-13(22)23-14(2,3)4/h5,8H,6-7H2,1-4H3,(H,17,22)(H,18,21)
InChIKeyDVEGGUFSHWXHOS-UHFFFAOYSA-N
MW341.80 g/mol
LogP2.47
Rot. Bonds4

About tert-butyl N-[1-[(2-acetyl-3-chloropyrrol-1-yl)carbamoyl]cyclopropyl]carbamate

tert-butyl N-[1-[(2-acetyl-3-chloropyrrol-1-yl)carbamoyl]cyclopropyl]carbamate (PubChem CID 144706555) has the molecular formula C15H20ClN3O4 and a molecular weight of 341.80 g/mol. Its IUPAC name is tert-butyl N-[1-[(2-acetyl-3-chloropyrrol-1-yl)carbamoyl]cyclopropyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-[(2-acetyl-3-chloropyrrol-1-yl)carbamoyl]cyclopropyl]carbamate
PubChem CID144706555
Molecular FormulaC15H20ClN3O4
Molecular Weight341.80 g/mol
Exact Mass341.11
IUPAC Nametert-butyl N-[1-[(2-acetyl-3-chloropyrrol-1-yl)carbamoyl]cyclopropyl]carbamate
SMILESCC(=O)c1c(Cl)ccn1NC(=O)C1(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C15H20ClN3O4/c1-9(20)11-10(16)5-8-19(11)18-12(21)15(6-7-15)17-13(22)23-14(2,3)4/h5,8H,6-7H2,1-4H3,(H,17,22)(H,18,21)
InChIKeyDVEGGUFSHWXHOS-UHFFFAOYSA-N
XLogP2.47
TPSA89.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-[4-[(4-propan-2-ylphenyl)carbamoyl]piperidin-4-yl]carbamate
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tert-butyl N-[1-(phenylcarbamoylcarbamoyl)cyclobutyl]carbamate
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tert-butyl N-[4-[[3-chloro-4-(4-methyl-1,4-diazepan-1-yl)phenyl]carbamoyl]oxan-4-yl]carbamate
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tert-butyl N-[1-[1-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexanecarbonyl]cyclohexyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[(2-acetyl-3-chloropyrrol-1-yl)carbamoyl]cyclopropyl]carbamate?
The IUPAC name of tert-butyl N-[1-[(2-acetyl-3-chloropyrrol-1-yl)carbamoyl]cyclopropyl]carbamate (CID 144706555) is tert-butyl N-[1-[(2-acetyl-3-chloropyrrol-1-yl)carbamoyl]cyclopropyl]carbamate.
What is the SMILES notation for tert-butyl N-[1-[(2-acetyl-3-chloropyrrol-1-yl)carbamoyl]cyclopropyl]carbamate?
The canonical SMILES for tert-butyl N-[1-[(2-acetyl-3-chloropyrrol-1-yl)carbamoyl]cyclopropyl]carbamate is CC(=O)c1c(Cl)ccn1NC(=O)C1(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[1-[(2-acetyl-3-chloropyrrol-1-yl)carbamoyl]cyclopropyl]carbamate?
The InChIKey is DVEGGUFSHWXHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O4/c1-9(20)11-10(16)5-8-19(11)18-12(21)15(6-7-15)17-13(22)23-14(2,3)4/h5,8H,6-7H2,1-4H3,(H,17,22)(H,18,21).
What are the key properties of tert-butyl N-[1-[(2-acetyl-3-chloropyrrol-1-yl)carbamoyl]cyclopropyl]carbamate?
tert-butyl N-[1-[(2-acetyl-3-chloropyrrol-1-yl)carbamoyl]cyclopropyl]carbamate has a molecular weight of 341.80 g/mol, XLogP of 2.47, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-[(2-acetyl-3-chloropyrrol-1-yl)carbamoyl]cyclopropyl]carbamate is sourced from PubChem (CID 144706555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).