butane;ethane;5-ethenyl-2-ethyl-4-[(E)-prop-1-enyl]-3H-pyrrole

C19H37N — CID 142020304

IUPACbutane;ethane;5-ethenyl-2-ethyl-4-[(E)-prop-1-enyl]-3H-pyrrole
SMILESC=CC1=C(/C=C/C)CC(CC)=N1.CC.CC.CCCC
InChIInChI=1S/C11H15N.C4H10.2C2H6/c1-4-7-9-8-10(5-2)12-11(9)6-3;1-3-4-2;2*1-2/h4,6-7H,3,5,8H2,1-2H3;3-4H2,1-2H3;2*1-2H3/b7-4+;;;
InChIKeyQSIQEVSUWLPSGP-QNEYZHQCSA-N
MW279.51 g/mol
LogP7.12
Rot. Bonds4

About butane;ethane;5-ethenyl-2-ethyl-4-[(E)-prop-1-enyl]-3H-pyrrole

butane;ethane;5-ethenyl-2-ethyl-4-[(E)-prop-1-enyl]-3H-pyrrole (PubChem CID 142020304) has the molecular formula C19H37N and a molecular weight of 279.51 g/mol. Its IUPAC name is butane;ethane;5-ethenyl-2-ethyl-4-[(E)-prop-1-enyl]-3H-pyrrole.

Molecular Properties

Compound Namebutane;ethane;5-ethenyl-2-ethyl-4-[(E)-prop-1-enyl]-3H-pyrrole
PubChem CID142020304
Molecular FormulaC19H37N
Molecular Weight279.51 g/mol
Exact Mass279.29
IUPAC Namebutane;ethane;5-ethenyl-2-ethyl-4-[(E)-prop-1-enyl]-3H-pyrrole
SMILESC=CC1=C(/C=C/C)CC(CC)=N1.CC.CC.CCCC
InChIInChI=1S/C11H15N.C4H10.2C2H6/c1-4-7-9-8-10(5-2)12-11(9)6-3;1-3-4-2;2*1-2/h4,6-7H,3,5,8H2,1-2H3;3-4H2,1-2H3;2*1-2H3/b7-4+;;;
InChIKeyQSIQEVSUWLPSGP-QNEYZHQCSA-N
XLogP7.12
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.51
LogP ≤ 57.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrole
CID 142986985
ethane;1,2,4-tris(ethenyl)-3-[(Z)-prop-1-enyl]cyclopenta-1,3-diene
CID 142480313
ethane;3-ethenyl-1-methyl-4-[(Z)-prop-1-enyl]-2,5-dihydropyrrole
CID 143141932
butane;ethane;ethene;prop-1-ene
CID 144524801
butane;ethane;propane;prop-1-ene
CID 143366707
4-ethenyl-5-ethyl-2-methyl-3H-pyrrole
CID 170048037
butane;ethane;(E)-hex-2-ene
CID 143010099
1,2-bis[(Z)-prop-1-enyl]cyclohexene;ethane
CID 144583134
3-ethenyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-ol
CID 143180864
ethane;(E)-hex-2-ene
CID 142405633
ethane;5-ethenyl-2-methyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridine
CID 143453691
ethane;2-ethenyl-4-ethyl-3-[(Z)-prop-1-enyl]-1H-pyrrole
CID 178090956

Frequently Asked Questions

What is the IUPAC name of butane;ethane;5-ethenyl-2-ethyl-4-[(E)-prop-1-enyl]-3H-pyrrole?
The IUPAC name of butane;ethane;5-ethenyl-2-ethyl-4-[(E)-prop-1-enyl]-3H-pyrrole (CID 142020304) is butane;ethane;5-ethenyl-2-ethyl-4-[(E)-prop-1-enyl]-3H-pyrrole.
What is the SMILES notation for butane;ethane;5-ethenyl-2-ethyl-4-[(E)-prop-1-enyl]-3H-pyrrole?
The canonical SMILES for butane;ethane;5-ethenyl-2-ethyl-4-[(E)-prop-1-enyl]-3H-pyrrole is C=CC1=C(/C=C/C)CC(CC)=N1.CC.CC.CCCC.
What is the InChIKey of butane;ethane;5-ethenyl-2-ethyl-4-[(E)-prop-1-enyl]-3H-pyrrole?
The InChIKey is QSIQEVSUWLPSGP-QNEYZHQCSA-N. The full InChI is InChI=1S/C11H15N.C4H10.2C2H6/c1-4-7-9-8-10(5-2)12-11(9)6-3;1-3-4-2;2*1-2/h4,6-7H,3,5,8H2,1-2H3;3-4H2,1-2H3;2*1-2H3/b7-4+;;;.
What are the key properties of butane;ethane;5-ethenyl-2-ethyl-4-[(E)-prop-1-enyl]-3H-pyrrole?
butane;ethane;5-ethenyl-2-ethyl-4-[(E)-prop-1-enyl]-3H-pyrrole has a molecular weight of 279.51 g/mol, XLogP of 7.12, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for butane;ethane;5-ethenyl-2-ethyl-4-[(E)-prop-1-enyl]-3H-pyrrole is sourced from PubChem (CID 142020304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).