ethane;methane;2-methyl-4-propyl-1H-pyrrole;molecular hydrogen

C11H25N — CID 144709481

IUPACethane;methane;2-methyl-4-propyl-1H-pyrrole;molecular hydrogen
SMILESC.CC.CCCc1c[nH]c(C)c1.[H][H]
InChIInChI=1S/C8H13N.C2H6.CH4.H2/c1-3-4-8-5-7(2)9-6-8;1-2;;/h5-6,9H,3-4H2,1-2H3;1-2H3;1H4;1H
InChIKeyZRZZSZQIXRWUBA-UHFFFAOYSA-N
MW171.33 g/mol
LogP4.18
Rot. Bonds2

About ethane;methane;2-methyl-4-propyl-1H-pyrrole;molecular hydrogen

ethane;methane;2-methyl-4-propyl-1H-pyrrole;molecular hydrogen (PubChem CID 144709481) has the molecular formula C11H25N and a molecular weight of 171.33 g/mol. Its IUPAC name is ethane;methane;2-methyl-4-propyl-1H-pyrrole;molecular hydrogen.

Molecular Properties

Compound Nameethane;methane;2-methyl-4-propyl-1H-pyrrole;molecular hydrogen
PubChem CID144709481
Molecular FormulaC11H25N
Molecular Weight171.33 g/mol
Exact Mass171.20
IUPAC Nameethane;methane;2-methyl-4-propyl-1H-pyrrole;molecular hydrogen
SMILESC.CC.CCCc1c[nH]c(C)c1.[H][H]
InChIInChI=1S/C8H13N.C2H6.CH4.H2/c1-3-4-8-5-7(2)9-6-8;1-2;;/h5-6,9H,3-4H2,1-2H3;1-2H3;1H4;1H
InChIKeyZRZZSZQIXRWUBA-UHFFFAOYSA-N
XLogP4.18
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.33
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

4-(2,2-dimethylpropyl)-2-methyl-1H-pyrrole
CID 66831426
4-propyl-2-(1H-pyrrol-2-yl)-1H-pyrrole
CID 67768010
ethyl (E)-3-(4-propyl-1H-pyrrol-2-yl)prop-2-enoate
CID 59523479
ethane;2-methyl-4-propan-2-yl-1H-pyrrole;molecular hydrogen
CID 177161315
2,2-dimethyl-3-(4-propyl-1H-pyrrol-2-yl)propanamide
CID 68737941
(3,5-dipropylphenyl)methanol
CID 23592581
1-fluoro-4-propylbenzene
CID 2737505
5-propyl-3-(5-propyl-1H-pyrazol-3-yl)-1H-pyrazole
CID 86239923
butane;ethane;1-methyl-4-propylbenzene;propane
CID 142050311
ethane;2-methylpropane;1-methyl-4-propylbenzene
CID 142174844
2-tert-butyl-4-(3,3-dimethylbutyl)-1H-pyrrole
CID 139460131
5-propylbenzene-1,3-diol
CID 3083600

Frequently Asked Questions

What is the IUPAC name of ethane;methane;2-methyl-4-propyl-1H-pyrrole;molecular hydrogen?
The IUPAC name of ethane;methane;2-methyl-4-propyl-1H-pyrrole;molecular hydrogen (CID 144709481) is ethane;methane;2-methyl-4-propyl-1H-pyrrole;molecular hydrogen.
What is the SMILES notation for ethane;methane;2-methyl-4-propyl-1H-pyrrole;molecular hydrogen?
The canonical SMILES for ethane;methane;2-methyl-4-propyl-1H-pyrrole;molecular hydrogen is C.CC.CCCc1c[nH]c(C)c1.[H][H].
What is the InChIKey of ethane;methane;2-methyl-4-propyl-1H-pyrrole;molecular hydrogen?
The InChIKey is ZRZZSZQIXRWUBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.C2H6.CH4.H2/c1-3-4-8-5-7(2)9-6-8;1-2;;/h5-6,9H,3-4H2,1-2H3;1-2H3;1H4;1H.
What are the key properties of ethane;methane;2-methyl-4-propyl-1H-pyrrole;molecular hydrogen?
ethane;methane;2-methyl-4-propyl-1H-pyrrole;molecular hydrogen has a molecular weight of 171.33 g/mol, XLogP of 4.18, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;methane;2-methyl-4-propyl-1H-pyrrole;molecular hydrogen is sourced from PubChem (CID 144709481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).