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

C11H17NO — CID 178074578

IUPAC(Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol
SMILESCCCC1=CC=C/C1=C(/O)N(C)C
InChIInChI=1S/C11H17NO/c1-4-6-9-7-5-8-10(9)11(13)12(2)3/h5,7-8,13H,4,6H2,1-3H3/b11-10-
InChIKeyQGUFEMNNUZLBCP-KHPPLWFESA-N
MW179.26 g/mol
LogP2.61
Rot. Bonds3

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

(Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol (PubChem CID 178074578) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol.

Molecular Properties

Compound Name(Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol
PubChem CID178074578
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol
SMILESCCCC1=CC=C/C1=C(/O)N(C)C
InChIInChI=1S/C11H17NO/c1-4-6-9-7-5-8-10(9)11(13)12(2)3/h5,7-8,13H,4,6H2,1-3H3/b11-10-
InChIKeyQGUFEMNNUZLBCP-KHPPLWFESA-N
XLogP2.61
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.61
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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Related Compounds

1-(2,4,6-Cycloheptatrien-1-ylidene)-1-(dimethylamino)methanol
CID 12704972
Cyclopenta-2,4-dien-1-ylidene(dimethylamino)methanolate
CID 13280613
Cyclopenta-2,4-dien-1-ylidene-[di(propan-2-yl)amino]methanol
CID 134856977
(Z)-dimethylamino-(2-octylcyclopenta-2,4-dien-1-ylidene)methanol
CID 178074580
(Z)-dimethylamino-(2-hexylcyclopenta-2,4-dien-1-ylidene)methanol
CID 178074583
(Z)-(2-butylcyclopenta-2,4-dien-1-ylidene)-(dimethylamino)methanol
CID 178074585

Frequently Asked Questions

What is the IUPAC name of (Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol?
The IUPAC name of (Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol (CID 178074578) is (Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol.
What is the SMILES notation for (Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol?
The canonical SMILES for (Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol is CCCC1=CC=C/C1=C(/O)N(C)C.
What is the InChIKey of (Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol?
The InChIKey is QGUFEMNNUZLBCP-KHPPLWFESA-N. The full InChI is InChI=1S/C11H17NO/c1-4-6-9-7-5-8-10(9)11(13)12(2)3/h5,7-8,13H,4,6H2,1-3H3/b11-10-.
What are the key properties of (Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol?
(Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol has a molecular weight of 179.26 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-dimethylamino-(2-propylcyclopenta-2,4-dien-1-ylidene)methanol is sourced from PubChem (CID 178074578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).