ethane;2-methylpropane;3H-pyrrole

C10H21N — CID 162059223

IUPACethane;2-methylpropane;3H-pyrrole
SMILESC1=CN=CC1.CC.CC(C)C
InChIInChI=1S/C4H5N.C4H10.C2H6/c1-2-4-5-3-1;1-4(2)3;1-2/h1,3-4H,2H2;4H,1-3H3;1-2H3
InChIKeyYZPHILCIEUGPME-UHFFFAOYSA-N
MW155.28 g/mol
LogP3.66
Rot. Bonds

About ethane;2-methylpropane;3H-pyrrole

ethane;2-methylpropane;3H-pyrrole (PubChem CID 162059223) has the molecular formula C10H21N and a molecular weight of 155.28 g/mol. Its IUPAC name is ethane;2-methylpropane;3H-pyrrole.

Molecular Properties

Compound Nameethane;2-methylpropane;3H-pyrrole
PubChem CID162059223
Molecular FormulaC10H21N
Molecular Weight155.28 g/mol
Exact Mass155.17
IUPAC Nameethane;2-methylpropane;3H-pyrrole
SMILESC1=CN=CC1.CC.CC(C)C
InChIInChI=1S/C4H5N.C4H10.C2H6/c1-2-4-5-3-1;1-4(2)3;1-2/h1,3-4H,2H2;4H,1-3H3;1-2H3
InChIKeyYZPHILCIEUGPME-UHFFFAOYSA-N
XLogP3.66
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.28
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-fluoro-N-[(Z,3R)-3-methylpent-1-enyl]propan-1-imine
CID 170076014
3-methyl-3H-pyrrole
CID 10953038
(1E)-N-(2-Methylpropyl)pent-4-en-1-imine
CID 13402840
N-[(E)-3-methylbut-1-enyl]ethanimine
CID 14792735
4-Methyl-3,4-dihydropyridine
CID 14979260
3-Methyl-3,4-dihydropyridine
CID 14979268
1-methyl-3H-pyrrol-1-ium
CID 15202831
3-ethenyl-1-methyl-3H-pyrrol-1-ium
CID 20612866
1-ethyl-3H-pyrrol-1-ium
CID 20676088
1-tert-butyl-3H-pyrrol-1-ium
CID 20676095
2-methyl-N-[(E)-3-methylbut-1-enyl]propan-1-imine
CID 22086823
N-hept-1-enyl-2-methylpropan-1-imine
CID 53800476

Frequently Asked Questions

What is the IUPAC name of ethane;2-methylpropane;3H-pyrrole?
The IUPAC name of ethane;2-methylpropane;3H-pyrrole (CID 162059223) is ethane;2-methylpropane;3H-pyrrole.
What is the SMILES notation for ethane;2-methylpropane;3H-pyrrole?
The canonical SMILES for ethane;2-methylpropane;3H-pyrrole is C1=CN=CC1.CC.CC(C)C.
What is the InChIKey of ethane;2-methylpropane;3H-pyrrole?
The InChIKey is YZPHILCIEUGPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.C4H10.C2H6/c1-2-4-5-3-1;1-4(2)3;1-2/h1,3-4H,2H2;4H,1-3H3;1-2H3.
What are the key properties of ethane;2-methylpropane;3H-pyrrole?
ethane;2-methylpropane;3H-pyrrole has a molecular weight of 155.28 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methylpropane;3H-pyrrole is sourced from PubChem (CID 162059223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).