(3-tributylstannylcyclopent-2-en-1-yl)carbamic acid

C18H35NO2Sn — CID 68586998

IUPAC(3-tributylstannylcyclopent-2-en-1-yl)carbamic acid
SMILESCCCC[Sn](CCCC)(CCCC)C1=CC(NC(=O)O)CC1
InChIInChI=1S/C6H8NO2.3C4H9.Sn/c8-6(9)7-5-3-1-2-4-5;3*1-3-4-2;/h4-5,7H,1,3H2,(H,8,9);3*1,3-4H2,2H3;
InChIKeyCWMYOUWCSZRTHV-UHFFFAOYSA-N
MW416.19 g/mol
LogP5.73
Rot. Bonds11

About (3-tributylstannylcyclopent-2-en-1-yl)carbamic acid

(3-tributylstannylcyclopent-2-en-1-yl)carbamic acid (PubChem CID 68586998) has the molecular formula C18H35NO2Sn and a molecular weight of 416.19 g/mol. Its IUPAC name is (3-tributylstannylcyclopent-2-en-1-yl)carbamic acid.

Molecular Properties

Compound Name(3-tributylstannylcyclopent-2-en-1-yl)carbamic acid
PubChem CID68586998
Molecular FormulaC18H35NO2Sn
Molecular Weight416.19 g/mol
Exact Mass417.17
IUPAC Name(3-tributylstannylcyclopent-2-en-1-yl)carbamic acid
SMILESCCCC[Sn](CCCC)(CCCC)C1=CC(NC(=O)O)CC1
InChIInChI=1S/C6H8NO2.3C4H9.Sn/c8-6(9)7-5-3-1-2-4-5;3*1-3-4-2;/h4-5,7H,1,3H2,(H,8,9);3*1,3-4H2,2H3;
InChIKeyCWMYOUWCSZRTHV-UHFFFAOYSA-N
XLogP5.73
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.19
LogP ≤ 55.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

6-methyl-3-tributylstannylcyclohex-2-en-1-one
CID 138965334
tert-butyl-dimethyl-(3-tributylstannylcyclopent-2-en-1-yl)oxysilane
CID 15630112
3-tributylstannylcyclobut-2-en-1-one
CID 10428388
4-tributylstannylbenzohydrazide
CID 66858741
(2-butylcyclopentyl)carbamic acid
CID 142463044
4-tributylstannylbenzamide
CID 11004124
ethyl 3-tributylstannyl-2H-thiopyran-6-carboxylate
CID 156849763
trans-methyl (1R,2S)-2-phenyl-1-(4-tributylstannylphenyl)cyclopropane-1-carboxylate
CID 11842872
pentane;[4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]carbamic acid
CID 91094238
[2-(9H-fluoren-9-yl)-1-(5-tributylstannylthiophen-2-yl)ethyl]carbamic acid
CID 67287602
1-(2,5-dioxopyrrolidin-1-yl)-5-tributylstannyl-2H-pyridine-3-carboxylic acid
CID 67830511
bis[1-(4-tributylstannylphenyl)cyclopentyl]methanone
CID 69181796

Frequently Asked Questions

What is the IUPAC name of (3-tributylstannylcyclopent-2-en-1-yl)carbamic acid?
The IUPAC name of (3-tributylstannylcyclopent-2-en-1-yl)carbamic acid (CID 68586998) is (3-tributylstannylcyclopent-2-en-1-yl)carbamic acid.
What is the SMILES notation for (3-tributylstannylcyclopent-2-en-1-yl)carbamic acid?
The canonical SMILES for (3-tributylstannylcyclopent-2-en-1-yl)carbamic acid is CCCC[Sn](CCCC)(CCCC)C1=CC(NC(=O)O)CC1.
What is the InChIKey of (3-tributylstannylcyclopent-2-en-1-yl)carbamic acid?
The InChIKey is CWMYOUWCSZRTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8NO2.3C4H9.Sn/c8-6(9)7-5-3-1-2-4-5;3*1-3-4-2;/h4-5,7H,1,3H2,(H,8,9);3*1,3-4H2,2H3;.
What are the key properties of (3-tributylstannylcyclopent-2-en-1-yl)carbamic acid?
(3-tributylstannylcyclopent-2-en-1-yl)carbamic acid has a molecular weight of 416.19 g/mol, XLogP of 5.73, 11 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tributylstannylcyclopent-2-en-1-yl)carbamic acid is sourced from PubChem (CID 68586998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).