[(1S)-1-trimethylstannyl-2,3-dihydroinden-1-yl] N,N-di(propan-2-yl)carbamate

C19H31NO2Sn — CID 10669993

IUPAC[(1S)-1-trimethylstannyl-2,3-dihydroinden-1-yl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)O[C@]1([Sn](C)(C)C)CCc2ccccc21)C(C)C
InChIInChI=1S/C16H22NO2.3CH3.Sn/c1-11(2)17(12(3)4)16(18)19-15-10-9-13-7-5-6-8-14(13)15;;;;/h5-8,11-12H,9-10H2,1-4H3;3*1H3;
InChIKeyRWRYPDQNLZNFNI-UHFFFAOYSA-N
MW424.17 g/mol
LogP4.96
Rot. Bonds4

About [(1S)-1-trimethylstannyl-2,3-dihydroinden-1-yl] N,N-di(propan-2-yl)carbamate

[(1S)-1-trimethylstannyl-2,3-dihydroinden-1-yl] N,N-di(propan-2-yl)carbamate (PubChem CID 10669993) has the molecular formula C19H31NO2Sn and a molecular weight of 424.17 g/mol. Its IUPAC name is [(1S)-1-trimethylstannyl-2,3-dihydroinden-1-yl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(1S)-1-trimethylstannyl-2,3-dihydroinden-1-yl] N,N-di(propan-2-yl)carbamate
PubChem CID10669993
Molecular FormulaC19H31NO2Sn
Molecular Weight424.17 g/mol
Exact Mass425.14
IUPAC Name[(1S)-1-trimethylstannyl-2,3-dihydroinden-1-yl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)O[C@]1([Sn](C)(C)C)CCc2ccccc21)C(C)C
InChIInChI=1S/C16H22NO2.3CH3.Sn/c1-11(2)17(12(3)4)16(18)19-15-10-9-13-7-5-6-8-14(13)15;;;;/h5-8,11-12H,9-10H2,1-4H3;3*1H3;
InChIKeyRWRYPDQNLZNFNI-UHFFFAOYSA-N
XLogP4.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.17
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-trimethylstannyl-2,3-dihydroinden-1-yl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(1S)-1-trimethylstannyl-2,3-dihydroinden-1-yl] N,N-di(propan-2-yl)carbamate (CID 10669993) is [(1S)-1-trimethylstannyl-2,3-dihydroinden-1-yl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(1S)-1-trimethylstannyl-2,3-dihydroinden-1-yl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(1S)-1-trimethylstannyl-2,3-dihydroinden-1-yl] N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)O[C@]1([Sn](C)(C)C)CCc2ccccc21)C(C)C.
What is the InChIKey of [(1S)-1-trimethylstannyl-2,3-dihydroinden-1-yl] N,N-di(propan-2-yl)carbamate?
The InChIKey is RWRYPDQNLZNFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22NO2.3CH3.Sn/c1-11(2)17(12(3)4)16(18)19-15-10-9-13-7-5-6-8-14(13)15;;;;/h5-8,11-12H,9-10H2,1-4H3;3*1H3;.
What are the key properties of [(1S)-1-trimethylstannyl-2,3-dihydroinden-1-yl] N,N-di(propan-2-yl)carbamate?
[(1S)-1-trimethylstannyl-2,3-dihydroinden-1-yl] N,N-di(propan-2-yl)carbamate has a molecular weight of 424.17 g/mol, XLogP of 4.96, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-trimethylstannyl-2,3-dihydroinden-1-yl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 10669993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).