tert-butyl N-[3-hydroxy-2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]spiro[3.5]nonan-7-yl]carbamate

C24H35N3O3 — CID 137387113

IUPACtert-butyl N-[3-hydroxy-2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]spiro[3.5]nonan-7-yl]carbamate
SMILESC/C=C\C1=C(C)c2cncn2C1C1CC2(CCC(NC(=O)OC(C)(C)C)CC2)C1O
InChIInChI=1S/C24H35N3O3/c1-6-7-17-15(2)19-13-25-14-27(19)20(17)18-12-24(21(18)28)10-8-16(9-11-24)26-22(29)30-23(3,4)5/h6-7,13-14,16,18,20-21,28H,8-12H2,1-5H3,(H,26,29)/b7-6-
InChIKeyWPNWVFHRRLZLNA-SREVYHEPSA-N
MW413.56 g/mol
LogP4.62
Rot. Bonds3

About tert-butyl N-[3-hydroxy-2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]spiro[3.5]nonan-7-yl]carbamate

tert-butyl N-[3-hydroxy-2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]spiro[3.5]nonan-7-yl]carbamate (PubChem CID 137387113) has the molecular formula C24H35N3O3 and a molecular weight of 413.56 g/mol. Its IUPAC name is tert-butyl N-[3-hydroxy-2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]spiro[3.5]nonan-7-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-hydroxy-2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]spiro[3.5]nonan-7-yl]carbamate
PubChem CID137387113
Molecular FormulaC24H35N3O3
Molecular Weight413.56 g/mol
Exact Mass413.27
IUPAC Nametert-butyl N-[3-hydroxy-2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]spiro[3.5]nonan-7-yl]carbamate
SMILESC/C=C\C1=C(C)c2cncn2C1C1CC2(CCC(NC(=O)OC(C)(C)C)CC2)C1O
InChIInChI=1S/C24H35N3O3/c1-6-7-17-15(2)19-13-25-14-27(19)20(17)18-12-24(21(18)28)10-8-16(9-11-24)26-22(29)30-23(3,4)5/h6-7,13-14,16,18,20-21,28H,8-12H2,1-5H3,(H,26,29)/b7-6-
InChIKeyWPNWVFHRRLZLNA-SREVYHEPSA-N
XLogP4.62
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.56
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze tert-butyl N-[3-hydroxy-2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]spiro[3.5]nonan-7-yl]carbamate with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-hydroxy-2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]spiro[3.5]nonan-7-yl]carbamate?
The IUPAC name of tert-butyl N-[3-hydroxy-2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]spiro[3.5]nonan-7-yl]carbamate (CID 137387113) is tert-butyl N-[3-hydroxy-2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]spiro[3.5]nonan-7-yl]carbamate.
What is the SMILES notation for tert-butyl N-[3-hydroxy-2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]spiro[3.5]nonan-7-yl]carbamate?
The canonical SMILES for tert-butyl N-[3-hydroxy-2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]spiro[3.5]nonan-7-yl]carbamate is C/C=C\C1=C(C)c2cncn2C1C1CC2(CCC(NC(=O)OC(C)(C)C)CC2)C1O.
What is the InChIKey of tert-butyl N-[3-hydroxy-2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]spiro[3.5]nonan-7-yl]carbamate?
The InChIKey is WPNWVFHRRLZLNA-SREVYHEPSA-N. The full InChI is InChI=1S/C24H35N3O3/c1-6-7-17-15(2)19-13-25-14-27(19)20(17)18-12-24(21(18)28)10-8-16(9-11-24)26-22(29)30-23(3,4)5/h6-7,13-14,16,18,20-21,28H,8-12H2,1-5H3,(H,26,29)/b7-6-.
What are the key properties of tert-butyl N-[3-hydroxy-2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]spiro[3.5]nonan-7-yl]carbamate?
tert-butyl N-[3-hydroxy-2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]spiro[3.5]nonan-7-yl]carbamate has a molecular weight of 413.56 g/mol, XLogP of 4.62, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-hydroxy-2-[7-methyl-6-[(Z)-prop-1-enyl]-5H-pyrrolo[1,2-c]imidazol-5-yl]spiro[3.5]nonan-7-yl]carbamate is sourced from PubChem (CID 137387113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).