(1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-olate

C11H16NO- — CID 134966484

IUPAC(1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-olate
SMILESCC/C([O-])=C1\C=CC=C1CN(C)C
InChIInChI=1S/C11H17NO/c1-4-11(13)10-7-5-6-9(10)8-12(2)3/h5-7,13H,4,8H2,1-3H3/p-1/b11-10-
InChIKeyNTFQRIQMIPENCP-KHPPLWFESA-M
MW178.25 g/mol
LogP1.07
Rot. Bonds3

About (1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-olate

(1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-olate (PubChem CID 134966484) has the molecular formula C11H16NO- and a molecular weight of 178.25 g/mol. Its IUPAC name is (1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-olate.

Molecular Properties

Compound Name(1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-olate
PubChem CID134966484
Molecular FormulaC11H16NO-
Molecular Weight178.25 g/mol
Exact Mass178.12
IUPAC Name(1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-olate
SMILESCC/C([O-])=C1\C=CC=C1CN(C)C
InChIInChI=1S/C11H17NO/c1-4-11(13)10-7-5-6-9(10)8-12(2)3/h5-7,13H,4,8H2,1-3H3/p-1/b11-10-
InChIKeyNTFQRIQMIPENCP-KHPPLWFESA-M
XLogP1.07
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.25
LogP ≤ 51.07
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

(E,3Z)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]-1-[(2-methylpropan-2-yl)oxy]prop-1-en-1-olate
CID 134965642
(Z,3Z)-1-(dimethylamino)-3-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]prop-1-en-1-olate
CID 134965715
1-cyclopenta-1,3-dien-1-yl-N,N-dimethylmethanamine
CID 102083
N,N-dimethyl-2-(3-propan-2-ylidenecyclopenta-1,4-dien-1-yl)ethanamine
CID 15514425
N-ethyl-5-methoxy-3-methylidene-N-propylhex-4-en-1-amine
CID 123623340
Trimethyl-[(2-methylcyclopenta-1,3-dien-1-yl)methyl]azanium
CID 134090140
1-(2-methoxycyclohexa-1,5-dien-1-yl)-N,N-dimethylmethanamine
CID 143205447
[(1E)-1-(1-methyl-2,3-dihydropyrrol-4-yl)buta-1,3-dien-2-yl] hypochlorite
CID 143418746
(2E,4Z)-5-(1,4-dimethyl-2,3-dihydropyrrol-5-yl)penta-2,4-dien-2-ol
CID 143911361
4-[2-(Dimethylamino)ethyl]cyclohepta-1,3,5-trien-1-ol
CID 145631408
3-[(3E,5Z)-hepta-1,3,5-trien-4-yl]-1-methyl-2,5-dihydropyrrole
CID 156424065
2-(4-methoxycyclopenta-1,4-dien-1-yl)-N,N-dimethylethanamine
CID 163914886

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-olate?
The IUPAC name of (1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-olate (CID 134966484) is (1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-olate.
What is the SMILES notation for (1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-olate?
The canonical SMILES for (1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-olate is CC/C([O-])=C1\C=CC=C1CN(C)C.
What is the InChIKey of (1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-olate?
The InChIKey is NTFQRIQMIPENCP-KHPPLWFESA-M. The full InChI is InChI=1S/C11H17NO/c1-4-11(13)10-7-5-6-9(10)8-12(2)3/h5-7,13H,4,8H2,1-3H3/p-1/b11-10-.
What are the key properties of (1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-olate?
(1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-olate has a molecular weight of 178.25 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[2-[(dimethylamino)methyl]cyclopenta-2,4-dien-1-ylidene]propan-1-olate is sourced from PubChem (CID 134966484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).