(Z)-but-2-ene;3-fluoro-N-methyl-4-morpholin-4-ylcyclohepta-2,4,6-trien-1-amine;prop-1-ene

C19H31FN2O — CID 143162411

IUPAC(Z)-but-2-ene;3-fluoro-N-methyl-4-morpholin-4-ylcyclohepta-2,4,6-trien-1-amine;prop-1-ene
SMILESC/C=C\C.C=CC.CNC1C=CC=C(N2CCOCC2)C(F)=C1
InChIInChI=1S/C12H17FN2O.C4H8.C3H6/c1-14-10-3-2-4-12(11(13)9-10)15-5-7-16-8-6-15;1-3-4-2;1-3-2/h2-4,9-10,14H,5-8H2,1H3;3-4H,1-2H3;3H,1H2,2H3/b;4-3-;
InChIKeyTVNBLQMSTZMPAD-LWFKIUJUSA-N
MW322.47 g/mol
LogP3.99
Rot. Bonds2

About (Z)-but-2-ene;3-fluoro-N-methyl-4-morpholin-4-ylcyclohepta-2,4,6-trien-1-amine;prop-1-ene

(Z)-but-2-ene;3-fluoro-N-methyl-4-morpholin-4-ylcyclohepta-2,4,6-trien-1-amine;prop-1-ene (PubChem CID 143162411) has the molecular formula C19H31FN2O and a molecular weight of 322.47 g/mol. Its IUPAC name is (Z)-but-2-ene;3-fluoro-N-methyl-4-morpholin-4-ylcyclohepta-2,4,6-trien-1-amine;prop-1-ene.

Molecular Properties

Compound Name(Z)-but-2-ene;3-fluoro-N-methyl-4-morpholin-4-ylcyclohepta-2,4,6-trien-1-amine;prop-1-ene
PubChem CID143162411
Molecular FormulaC19H31FN2O
Molecular Weight322.47 g/mol
Exact Mass322.24
IUPAC Name(Z)-but-2-ene;3-fluoro-N-methyl-4-morpholin-4-ylcyclohepta-2,4,6-trien-1-amine;prop-1-ene
SMILESC/C=C\C.C=CC.CNC1C=CC=C(N2CCOCC2)C(F)=C1
InChIInChI=1S/C12H17FN2O.C4H8.C3H6/c1-14-10-3-2-4-12(11(13)9-10)15-5-7-16-8-6-15;1-3-4-2;1-3-2/h2-4,9-10,14H,5-8H2,1H3;3-4H,1-2H3;3H,1H2,2H3/b;4-3-;
InChIKeyTVNBLQMSTZMPAD-LWFKIUJUSA-N
XLogP3.99
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.47
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;3-fluoro-N-methyl-4-morpholin-4-ylcyclohepta-2,4,6-trien-1-amine;prop-1-ene?
The IUPAC name of (Z)-but-2-ene;3-fluoro-N-methyl-4-morpholin-4-ylcyclohepta-2,4,6-trien-1-amine;prop-1-ene (CID 143162411) is (Z)-but-2-ene;3-fluoro-N-methyl-4-morpholin-4-ylcyclohepta-2,4,6-trien-1-amine;prop-1-ene.
What is the SMILES notation for (Z)-but-2-ene;3-fluoro-N-methyl-4-morpholin-4-ylcyclohepta-2,4,6-trien-1-amine;prop-1-ene?
The canonical SMILES for (Z)-but-2-ene;3-fluoro-N-methyl-4-morpholin-4-ylcyclohepta-2,4,6-trien-1-amine;prop-1-ene is C/C=C\C.C=CC.CNC1C=CC=C(N2CCOCC2)C(F)=C1.
What is the InChIKey of (Z)-but-2-ene;3-fluoro-N-methyl-4-morpholin-4-ylcyclohepta-2,4,6-trien-1-amine;prop-1-ene?
The InChIKey is TVNBLQMSTZMPAD-LWFKIUJUSA-N. The full InChI is InChI=1S/C12H17FN2O.C4H8.C3H6/c1-14-10-3-2-4-12(11(13)9-10)15-5-7-16-8-6-15;1-3-4-2;1-3-2/h2-4,9-10,14H,5-8H2,1H3;3-4H,1-2H3;3H,1H2,2H3/b;4-3-;.
What are the key properties of (Z)-but-2-ene;3-fluoro-N-methyl-4-morpholin-4-ylcyclohepta-2,4,6-trien-1-amine;prop-1-ene?
(Z)-but-2-ene;3-fluoro-N-methyl-4-morpholin-4-ylcyclohepta-2,4,6-trien-1-amine;prop-1-ene has a molecular weight of 322.47 g/mol, XLogP of 3.99, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;3-fluoro-N-methyl-4-morpholin-4-ylcyclohepta-2,4,6-trien-1-amine;prop-1-ene is sourced from PubChem (CID 143162411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).