(E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxy-N,N-dimethylprop-1-en-1-amine

C12H17NO — CID 134921134

IUPAC(E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxy-N,N-dimethylprop-1-en-1-amine
SMILESCCO/C(=C/C=C1C=CC=C1)N(C)C
InChIInChI=1S/C12H17NO/c1-4-14-12(13(2)3)10-9-11-7-5-6-8-11/h5-10H,4H2,1-3H3/b12-10+
InChIKeySELYICFAHQZTCJ-ZRDIBKRKSA-N
MW191.27 g/mol
LogP2.48
Rot. Bonds4

About (E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxy-N,N-dimethylprop-1-en-1-amine

(E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxy-N,N-dimethylprop-1-en-1-amine (PubChem CID 134921134) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is (E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxy-N,N-dimethylprop-1-en-1-amine.

Molecular Properties

Compound Name(E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxy-N,N-dimethylprop-1-en-1-amine
PubChem CID134921134
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name(E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxy-N,N-dimethylprop-1-en-1-amine
SMILESCCO/C(=C/C=C1C=CC=C1)N(C)C
InChIInChI=1S/C12H17NO/c1-4-14-12(13(2)3)10-9-11-7-5-6-8-11/h5-10H,4H2,1-3H3/b12-10+
InChIKeySELYICFAHQZTCJ-ZRDIBKRKSA-N
XLogP2.48
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

1-(Cyclopenta-2,4-dien-1-ylidene)-1-ethoxy-N,N-dimethylmethanamine
CID 21603033
(1Z,3E,5Z)-3-ethenyl-1-methoxy-N,N,4-trimethylhepta-1,3,5-trien-2-amine
CID 163661840
1-[(4-Ethylidenecyclohexa-2,5-dien-1-ylidene)methoxymethyl]-4-methylpyrazine
CID 170216110

Frequently Asked Questions

What is the IUPAC name of (E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxy-N,N-dimethylprop-1-en-1-amine?
The IUPAC name of (E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxy-N,N-dimethylprop-1-en-1-amine (CID 134921134) is (E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxy-N,N-dimethylprop-1-en-1-amine.
What is the SMILES notation for (E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxy-N,N-dimethylprop-1-en-1-amine?
The canonical SMILES for (E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxy-N,N-dimethylprop-1-en-1-amine is CCO/C(=C/C=C1C=CC=C1)N(C)C.
What is the InChIKey of (E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxy-N,N-dimethylprop-1-en-1-amine?
The InChIKey is SELYICFAHQZTCJ-ZRDIBKRKSA-N. The full InChI is InChI=1S/C12H17NO/c1-4-14-12(13(2)3)10-9-11-7-5-6-8-11/h5-10H,4H2,1-3H3/b12-10+.
What are the key properties of (E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxy-N,N-dimethylprop-1-en-1-amine?
(E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxy-N,N-dimethylprop-1-en-1-amine has a molecular weight of 191.27 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-cyclopenta-2,4-dien-1-ylidene-1-ethoxy-N,N-dimethylprop-1-en-1-amine is sourced from PubChem (CID 134921134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).