ethane;(Z)-N-(3-methyl-1H-pyrrol-2-yl)prop-2-en-1-imine;propane

C13H24N2 — CID 144842549

IUPACethane;(Z)-N-(3-methyl-1H-pyrrol-2-yl)prop-2-en-1-imine;propane
SMILESC=C/C=N\c1[nH]ccc1C.CC.CCC
InChIInChI=1S/C8H10N2.C3H8.C2H6/c1-3-5-9-8-7(2)4-6-10-8;1-3-2;1-2/h3-6,10H,1H2,2H3;3H2,1-2H3;1-2H3/b9-5-;;
InChIKeyLPXPTGIRVGNCIZ-XDYVNXDCSA-N
MW208.35 g/mol
LogP4.65
Rot. Bonds2

About ethane;(Z)-N-(3-methyl-1H-pyrrol-2-yl)prop-2-en-1-imine;propane

ethane;(Z)-N-(3-methyl-1H-pyrrol-2-yl)prop-2-en-1-imine;propane (PubChem CID 144842549) has the molecular formula C13H24N2 and a molecular weight of 208.35 g/mol. Its IUPAC name is ethane;(Z)-N-(3-methyl-1H-pyrrol-2-yl)prop-2-en-1-imine;propane.

Molecular Properties

Compound Nameethane;(Z)-N-(3-methyl-1H-pyrrol-2-yl)prop-2-en-1-imine;propane
PubChem CID144842549
Molecular FormulaC13H24N2
Molecular Weight208.35 g/mol
Exact Mass208.19
IUPAC Nameethane;(Z)-N-(3-methyl-1H-pyrrol-2-yl)prop-2-en-1-imine;propane
SMILESC=C/C=N\c1[nH]ccc1C.CC.CCC
InChIInChI=1S/C8H10N2.C3H8.C2H6/c1-3-5-9-8-7(2)4-6-10-8;1-3-2;1-2/h3-6,10H,1H2,2H3;3H2,1-2H3;1-2H3/b9-5-;;
InChIKeyLPXPTGIRVGNCIZ-XDYVNXDCSA-N
XLogP4.65
TPSA28.15 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.35
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-N-(3-methyl-1H-pyrrol-2-yl)prop-2-en-1-imine;propane?
The IUPAC name of ethane;(Z)-N-(3-methyl-1H-pyrrol-2-yl)prop-2-en-1-imine;propane (CID 144842549) is ethane;(Z)-N-(3-methyl-1H-pyrrol-2-yl)prop-2-en-1-imine;propane.
What is the SMILES notation for ethane;(Z)-N-(3-methyl-1H-pyrrol-2-yl)prop-2-en-1-imine;propane?
The canonical SMILES for ethane;(Z)-N-(3-methyl-1H-pyrrol-2-yl)prop-2-en-1-imine;propane is C=C/C=N\c1[nH]ccc1C.CC.CCC.
What is the InChIKey of ethane;(Z)-N-(3-methyl-1H-pyrrol-2-yl)prop-2-en-1-imine;propane?
The InChIKey is LPXPTGIRVGNCIZ-XDYVNXDCSA-N. The full InChI is InChI=1S/C8H10N2.C3H8.C2H6/c1-3-5-9-8-7(2)4-6-10-8;1-3-2;1-2/h3-6,10H,1H2,2H3;3H2,1-2H3;1-2H3/b9-5-;;.
What are the key properties of ethane;(Z)-N-(3-methyl-1H-pyrrol-2-yl)prop-2-en-1-imine;propane?
ethane;(Z)-N-(3-methyl-1H-pyrrol-2-yl)prop-2-en-1-imine;propane has a molecular weight of 208.35 g/mol, XLogP of 4.65, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-N-(3-methyl-1H-pyrrol-2-yl)prop-2-en-1-imine;propane is sourced from PubChem (CID 144842549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).