(Z)-(2-butylcyclopenta-2,4-dien-1-ylidene)-(dimethylamino)methanol

C12H19NO — CID 178074585

IUPAC(Z)-(2-butylcyclopenta-2,4-dien-1-ylidene)-(dimethylamino)methanol
SMILESCCCCC1=CC=C/C1=C(/O)N(C)C
InChIInChI=1S/C12H19NO/c1-4-5-7-10-8-6-9-11(10)12(14)13(2)3/h6,8-9,14H,4-5,7H2,1-3H3/b12-11-
InChIKeyHAPRREDNXRLIRM-QXMHVHEDSA-N
MW193.29 g/mol
LogP3.00
Rot. Bonds4

About (Z)-(2-butylcyclopenta-2,4-dien-1-ylidene)-(dimethylamino)methanol

(Z)-(2-butylcyclopenta-2,4-dien-1-ylidene)-(dimethylamino)methanol (PubChem CID 178074585) has the molecular formula C12H19NO and a molecular weight of 193.29 g/mol. Its IUPAC name is (Z)-(2-butylcyclopenta-2,4-dien-1-ylidene)-(dimethylamino)methanol.

Molecular Properties

Compound Name(Z)-(2-butylcyclopenta-2,4-dien-1-ylidene)-(dimethylamino)methanol
PubChem CID178074585
Molecular FormulaC12H19NO
Molecular Weight193.29 g/mol
Exact Mass193.15
IUPAC Name(Z)-(2-butylcyclopenta-2,4-dien-1-ylidene)-(dimethylamino)methanol
SMILESCCCCC1=CC=C/C1=C(/O)N(C)C
InChIInChI=1S/C12H19NO/c1-4-5-7-10-8-6-9-11(10)12(14)13(2)3/h6,8-9,14H,4-5,7H2,1-3H3/b12-11-
InChIKeyHAPRREDNXRLIRM-QXMHVHEDSA-N
XLogP3.00
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.29
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-(2-butylcyclopenta-2,4-dien-1-ylidene)-(dimethylamino)methanol?
The IUPAC name of (Z)-(2-butylcyclopenta-2,4-dien-1-ylidene)-(dimethylamino)methanol (CID 178074585) is (Z)-(2-butylcyclopenta-2,4-dien-1-ylidene)-(dimethylamino)methanol.
What is the SMILES notation for (Z)-(2-butylcyclopenta-2,4-dien-1-ylidene)-(dimethylamino)methanol?
The canonical SMILES for (Z)-(2-butylcyclopenta-2,4-dien-1-ylidene)-(dimethylamino)methanol is CCCCC1=CC=C/C1=C(/O)N(C)C.
What is the InChIKey of (Z)-(2-butylcyclopenta-2,4-dien-1-ylidene)-(dimethylamino)methanol?
The InChIKey is HAPRREDNXRLIRM-QXMHVHEDSA-N. The full InChI is InChI=1S/C12H19NO/c1-4-5-7-10-8-6-9-11(10)12(14)13(2)3/h6,8-9,14H,4-5,7H2,1-3H3/b12-11-.
What are the key properties of (Z)-(2-butylcyclopenta-2,4-dien-1-ylidene)-(dimethylamino)methanol?
(Z)-(2-butylcyclopenta-2,4-dien-1-ylidene)-(dimethylamino)methanol has a molecular weight of 193.29 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-(2-butylcyclopenta-2,4-dien-1-ylidene)-(dimethylamino)methanol is sourced from PubChem (CID 178074585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).