(Z)-but-2-ene;2-(2-methylidene-3H-indol-1-yl)ethanol;prop-1-yne

C18H25NO — CID 143222920

IUPAC(Z)-but-2-ene;2-(2-methylidene-3H-indol-1-yl)ethanol;prop-1-yne
SMILESC#CC.C/C=C\C.C=C1Cc2ccccc2N1CCO
InChIInChI=1S/C11H13NO.C4H8.C3H4/c1-9-8-10-4-2-3-5-11(10)12(9)6-7-13;1-3-4-2;1-3-2/h2-5,13H,1,6-8H2;3-4H,1-2H3;1H,2H3/b;4-3-;
InChIKeyDVPVHDVVJWSKSB-LWFKIUJUSA-N
MW271.40 g/mol
LogP3.78
Rot. Bonds2

About (Z)-but-2-ene;2-(2-methylidene-3H-indol-1-yl)ethanol;prop-1-yne

(Z)-but-2-ene;2-(2-methylidene-3H-indol-1-yl)ethanol;prop-1-yne (PubChem CID 143222920) has the molecular formula C18H25NO and a molecular weight of 271.40 g/mol. Its IUPAC name is (Z)-but-2-ene;2-(2-methylidene-3H-indol-1-yl)ethanol;prop-1-yne.

Molecular Properties

Compound Name(Z)-but-2-ene;2-(2-methylidene-3H-indol-1-yl)ethanol;prop-1-yne
PubChem CID143222920
Molecular FormulaC18H25NO
Molecular Weight271.40 g/mol
Exact Mass271.19
IUPAC Name(Z)-but-2-ene;2-(2-methylidene-3H-indol-1-yl)ethanol;prop-1-yne
SMILESC#CC.C/C=C\C.C=C1Cc2ccccc2N1CCO
InChIInChI=1S/C11H13NO.C4H8.C3H4/c1-9-8-10-4-2-3-5-11(10)12(9)6-7-13;1-3-4-2;1-3-2/h2-5,13H,1,6-8H2;3-4H,1-2H3;1H,2H3/b;4-3-;
InChIKeyDVPVHDVVJWSKSB-LWFKIUJUSA-N
XLogP3.78
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.40
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-but-2-ene;2-(2-methylidene-3H-indol-1-yl)ethanol;prop-1-yne?
The IUPAC name of (Z)-but-2-ene;2-(2-methylidene-3H-indol-1-yl)ethanol;prop-1-yne (CID 143222920) is (Z)-but-2-ene;2-(2-methylidene-3H-indol-1-yl)ethanol;prop-1-yne.
What is the SMILES notation for (Z)-but-2-ene;2-(2-methylidene-3H-indol-1-yl)ethanol;prop-1-yne?
The canonical SMILES for (Z)-but-2-ene;2-(2-methylidene-3H-indol-1-yl)ethanol;prop-1-yne is C#CC.C/C=C\C.C=C1Cc2ccccc2N1CCO.
What is the InChIKey of (Z)-but-2-ene;2-(2-methylidene-3H-indol-1-yl)ethanol;prop-1-yne?
The InChIKey is DVPVHDVVJWSKSB-LWFKIUJUSA-N. The full InChI is InChI=1S/C11H13NO.C4H8.C3H4/c1-9-8-10-4-2-3-5-11(10)12(9)6-7-13;1-3-4-2;1-3-2/h2-5,13H,1,6-8H2;3-4H,1-2H3;1H,2H3/b;4-3-;.
What are the key properties of (Z)-but-2-ene;2-(2-methylidene-3H-indol-1-yl)ethanol;prop-1-yne?
(Z)-but-2-ene;2-(2-methylidene-3H-indol-1-yl)ethanol;prop-1-yne has a molecular weight of 271.40 g/mol, XLogP of 3.78, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-but-2-ene;2-(2-methylidene-3H-indol-1-yl)ethanol;prop-1-yne is sourced from PubChem (CID 143222920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).