ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrole

C14H25N — CID 142986985

IUPACethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrole
SMILESC=CC1=C(/C=C\C)N=C(C)C1.CC.CC
InChIInChI=1S/C10H13N.2C2H6/c1-4-6-10-9(5-2)7-8(3)11-10;2*1-2/h4-6H,2,7H2,1,3H3;2*1-2H3/b6-4-;;
InChIKeyAVVXSUPWGGQTRP-XFUGJFOESA-N
MW207.36 g/mol
LogP4.92
Rot. Bonds2

About ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrole

ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrole (PubChem CID 142986985) has the molecular formula C14H25N and a molecular weight of 207.36 g/mol. Its IUPAC name is ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrole.

Molecular Properties

Compound Nameethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrole
PubChem CID142986985
Molecular FormulaC14H25N
Molecular Weight207.36 g/mol
Exact Mass207.20
IUPAC Nameethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrole
SMILESC=CC1=C(/C=C\C)N=C(C)C1.CC.CC
InChIInChI=1S/C10H13N.2C2H6/c1-4-6-10-9(5-2)7-8(3)11-10;2*1-2/h4-6H,2,7H2,1,3H3;2*1-2H3/b6-4-;;
InChIKeyAVVXSUPWGGQTRP-XFUGJFOESA-N
XLogP4.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.36
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

4-ethenyl-5-ethyl-2-methyl-3H-pyrrole
CID 170048037
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;5-ethenyl-2-ethyl-4-[(E)-prop-1-enyl]-3H-pyrrole
CID 142020304
5-[(Z)-but-2-en-2-yl]-3-ethenyl-6-methyl-4-[(Z)-prop-1-enyl]-2H-pyran;ethane
CID 142104561
ethane;5-ethenyl-2-methyl-6-[(Z)-prop-1-enyl]-1,2,3,4-tetrahydropyridine
CID 143453691
ethane;2-ethenyl-7-methyl-3-[(Z)-prop-1-enyl]-1H-indene
CID 143520012
ethane;3-ethenyl-1-methyl-2-[(Z)-prop-1-enyl]-4H-phosphinoline
CID 171624005
ethane;6-ethenyl-7-[(Z)-prop-1-enyl]-2,3,4,5-tetrahydro-1,4-oxazepine
CID 145208551
3-ethenyl-4-[(Z)-prop-1-enyl]cyclopent-3-en-1-ol
CID 143180864
5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,3-oxazine
CID 163864435
3-ethenyl-1-methyl-2-[(Z)-prop-1-enyl]-4H-phosphinoline
CID 171624006

Frequently Asked Questions

What is the IUPAC name of ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrole?
The IUPAC name of ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrole (CID 142986985) is ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrole.
What is the SMILES notation for ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrole?
The canonical SMILES for ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrole is C=CC1=C(/C=C\C)N=C(C)C1.CC.CC.
What is the InChIKey of ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrole?
The InChIKey is AVVXSUPWGGQTRP-XFUGJFOESA-N. The full InChI is InChI=1S/C10H13N.2C2H6/c1-4-6-10-9(5-2)7-8(3)11-10;2*1-2/h4-6H,2,7H2,1,3H3;2*1-2H3/b6-4-;;.
What are the key properties of ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrole?
ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrole has a molecular weight of 207.36 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-ethenyl-2-methyl-5-[(Z)-prop-1-enyl]-3H-pyrrole is sourced from PubChem (CID 142986985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).