[(E)-2-[(1S)-2,2-dimethylcyclopropyl]-1-trimethylstannylethenyl] N,N-di(propan-2-yl)carbamate

C17H33NO2Sn — CID 177428027

IUPAC[(E)-2-[(1S)-2,2-dimethylcyclopropyl]-1-trimethylstannylethenyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)O/C(=C\[C@@H]1CC1(C)C)[Sn](C)(C)C)C(C)C
InChIInChI=1S/C14H24NO2.3CH3.Sn/c1-10(2)15(11(3)4)13(16)17-8-7-12-9-14(12,5)6;;;;/h7,10-12H,9H2,1-6H3;3*1H3;/t12-;;;;/m1..../s1
InChIKeyTZROGKVNOPUZED-HHUWXINPSA-N
MW402.17 g/mol
LogP5.05
Rot. Bonds5

About [(E)-2-[(1S)-2,2-dimethylcyclopropyl]-1-trimethylstannylethenyl] N,N-di(propan-2-yl)carbamate

[(E)-2-[(1S)-2,2-dimethylcyclopropyl]-1-trimethylstannylethenyl] N,N-di(propan-2-yl)carbamate (PubChem CID 177428027) has the molecular formula C17H33NO2Sn and a molecular weight of 402.17 g/mol. Its IUPAC name is [(E)-2-[(1S)-2,2-dimethylcyclopropyl]-1-trimethylstannylethenyl] N,N-di(propan-2-yl)carbamate.

Molecular Properties

Compound Name[(E)-2-[(1S)-2,2-dimethylcyclopropyl]-1-trimethylstannylethenyl] N,N-di(propan-2-yl)carbamate
PubChem CID177428027
Molecular FormulaC17H33NO2Sn
Molecular Weight402.17 g/mol
Exact Mass403.15
IUPAC Name[(E)-2-[(1S)-2,2-dimethylcyclopropyl]-1-trimethylstannylethenyl] N,N-di(propan-2-yl)carbamate
SMILESCC(C)N(C(=O)O/C(=C\[C@@H]1CC1(C)C)[Sn](C)(C)C)C(C)C
InChIInChI=1S/C14H24NO2.3CH3.Sn/c1-10(2)15(11(3)4)13(16)17-8-7-12-9-14(12,5)6;;;;/h7,10-12H,9H2,1-6H3;3*1H3;/t12-;;;;/m1..../s1
InChIKeyTZROGKVNOPUZED-HHUWXINPSA-N
XLogP5.05
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.17
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Analyze [(E)-2-[(1S)-2,2-dimethylcyclopropyl]-1-trimethylstannylethenyl] N,N-di(propan-2-yl)carbamate with MolForge

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Related Compounds

[(Z)-1-[(1S)-2,2-dimethylcyclopropyl]prop-1-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 101381446
[(Z)-4-trimethylstannylpent-2-en-2-yl] N,N-di(propan-2-yl)carbamate
CID 14492456
2-(2-fluoroprop-1-enyl)-1,1-dimethylcyclopropane
CID 54075210
1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane;formyl chloride
CID 159817831
1,1-dimethyl-2-(2-methylprop-1-enyl)cyclopropane
CID 520632
[(Z)-1-trimethylsilylbut-2-enyl] N,N-di(propan-2-yl)carbamate
CID 13329873
(2S)-2-(2,2-dibromoethenyl)-1,1-dimethylcyclopropane
CID 88596820
[(R)-[(1S,2S,6R,8S)-2,9,9-trimethyl-3,5-dioxa-4-boratricyclo[6.1.1.02,6]decan-4-yl]-trimethylsilylmethyl] N,N-di(propan-2-yl)carbamate
CID 23250816
[(Z,3S,4R)-4-hydroxy-3-methyl-1-trimethylsilylhept-1-enyl] N,N-di(propan-2-yl)carbamate
CID 101343519
(2E)-2-[(2,2-dimethylcyclopropyl)methylidene]-3-methylbutanenitrile
CID 89273892
methyl 2-cyano-3-(2,2-dimethylcyclopropyl)prop-2-enoate
CID 91011632
cyclohexa-1,3-dien-1-yl N,N-di(propan-2-yl)carbamate
CID 132505945

Frequently Asked Questions

What is the IUPAC name of [(E)-2-[(1S)-2,2-dimethylcyclopropyl]-1-trimethylstannylethenyl] N,N-di(propan-2-yl)carbamate?
The IUPAC name of [(E)-2-[(1S)-2,2-dimethylcyclopropyl]-1-trimethylstannylethenyl] N,N-di(propan-2-yl)carbamate (CID 177428027) is [(E)-2-[(1S)-2,2-dimethylcyclopropyl]-1-trimethylstannylethenyl] N,N-di(propan-2-yl)carbamate.
What is the SMILES notation for [(E)-2-[(1S)-2,2-dimethylcyclopropyl]-1-trimethylstannylethenyl] N,N-di(propan-2-yl)carbamate?
The canonical SMILES for [(E)-2-[(1S)-2,2-dimethylcyclopropyl]-1-trimethylstannylethenyl] N,N-di(propan-2-yl)carbamate is CC(C)N(C(=O)O/C(=C\[C@@H]1CC1(C)C)[Sn](C)(C)C)C(C)C.
What is the InChIKey of [(E)-2-[(1S)-2,2-dimethylcyclopropyl]-1-trimethylstannylethenyl] N,N-di(propan-2-yl)carbamate?
The InChIKey is TZROGKVNOPUZED-HHUWXINPSA-N. The full InChI is InChI=1S/C14H24NO2.3CH3.Sn/c1-10(2)15(11(3)4)13(16)17-8-7-12-9-14(12,5)6;;;;/h7,10-12H,9H2,1-6H3;3*1H3;/t12-;;;;/m1..../s1.
What are the key properties of [(E)-2-[(1S)-2,2-dimethylcyclopropyl]-1-trimethylstannylethenyl] N,N-di(propan-2-yl)carbamate?
[(E)-2-[(1S)-2,2-dimethylcyclopropyl]-1-trimethylstannylethenyl] N,N-di(propan-2-yl)carbamate has a molecular weight of 402.17 g/mol, XLogP of 5.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-2-[(1S)-2,2-dimethylcyclopropyl]-1-trimethylstannylethenyl] N,N-di(propan-2-yl)carbamate is sourced from PubChem (CID 177428027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).