tert-butyl N-[4-(methylamino)-2,3-dihydropyrrol-1-yl]carbamate

C10H19N3O2 — CID 175371073

IUPACtert-butyl N-[4-(methylamino)-2,3-dihydropyrrol-1-yl]carbamate
SMILESCNC1=CN(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C10H19N3O2/c1-10(2,3)15-9(14)12-13-6-5-8(7-13)11-4/h7,11H,5-6H2,1-4H3,(H,12,14)
InChIKeyPHGUPNURPCOSCK-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.19
Rot. Bonds2

About tert-butyl N-[4-(methylamino)-2,3-dihydropyrrol-1-yl]carbamate

tert-butyl N-[4-(methylamino)-2,3-dihydropyrrol-1-yl]carbamate (PubChem CID 175371073) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is tert-butyl N-[4-(methylamino)-2,3-dihydropyrrol-1-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[4-(methylamino)-2,3-dihydropyrrol-1-yl]carbamate
PubChem CID175371073
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Nametert-butyl N-[4-(methylamino)-2,3-dihydropyrrol-1-yl]carbamate
SMILESCNC1=CN(NC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C10H19N3O2/c1-10(2,3)15-9(14)12-13-6-5-8(7-13)11-4/h7,11H,5-6H2,1-4H3,(H,12,14)
InChIKeyPHGUPNURPCOSCK-UHFFFAOYSA-N
XLogP1.19
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[4-(methylamino)-2,3-dihydropyrrol-1-yl]carbamate?
The IUPAC name of tert-butyl N-[4-(methylamino)-2,3-dihydropyrrol-1-yl]carbamate (CID 175371073) is tert-butyl N-[4-(methylamino)-2,3-dihydropyrrol-1-yl]carbamate.
What is the SMILES notation for tert-butyl N-[4-(methylamino)-2,3-dihydropyrrol-1-yl]carbamate?
The canonical SMILES for tert-butyl N-[4-(methylamino)-2,3-dihydropyrrol-1-yl]carbamate is CNC1=CN(NC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[4-(methylamino)-2,3-dihydropyrrol-1-yl]carbamate?
The InChIKey is PHGUPNURPCOSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-10(2,3)15-9(14)12-13-6-5-8(7-13)11-4/h7,11H,5-6H2,1-4H3,(H,12,14).
What are the key properties of tert-butyl N-[4-(methylamino)-2,3-dihydropyrrol-1-yl]carbamate?
tert-butyl N-[4-(methylamino)-2,3-dihydropyrrol-1-yl]carbamate has a molecular weight of 213.28 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[4-(methylamino)-2,3-dihydropyrrol-1-yl]carbamate is sourced from PubChem (CID 175371073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).