ethane;(Z)-(1-methylpyrrolidin-2-ylidene)methanol

C8H17NO — CID 142164978

IUPACethane;(Z)-(1-methylpyrrolidin-2-ylidene)methanol
SMILESCC.CN1CCC/C1=C/O
InChIInChI=1S/C6H11NO.C2H6/c1-7-4-2-3-6(7)5-8;1-2/h5,8H,2-4H2,1H3;1-2H3/b6-5-;
InChIKeyUHQZQVXFTYIKFM-YSMBQZINSA-N
MW143.23 g/mol
LogP2.14
Rot. Bonds

About ethane;(Z)-(1-methylpyrrolidin-2-ylidene)methanol

ethane;(Z)-(1-methylpyrrolidin-2-ylidene)methanol (PubChem CID 142164978) has the molecular formula C8H17NO and a molecular weight of 143.23 g/mol. Its IUPAC name is ethane;(Z)-(1-methylpyrrolidin-2-ylidene)methanol.

Molecular Properties

Compound Nameethane;(Z)-(1-methylpyrrolidin-2-ylidene)methanol
PubChem CID142164978
Molecular FormulaC8H17NO
Molecular Weight143.23 g/mol
Exact Mass143.13
IUPAC Nameethane;(Z)-(1-methylpyrrolidin-2-ylidene)methanol
SMILESCC.CN1CCC/C1=C/O
InChIInChI=1S/C6H11NO.C2H6/c1-7-4-2-3-6(7)5-8;1-2/h5,8H,2-4H2,1H3;1-2H3/b6-5-;
InChIKeyUHQZQVXFTYIKFM-YSMBQZINSA-N
XLogP2.14
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.23
LogP ≤ 52.14
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

(2E)-2-(1-methylpyrrolidin-2-ylidene)acetaldehyde
CID 45092485
methyl (2Z)-2-(1-methylpyrrolidin-2-ylidene)acetate
CID 74890594
diethyl 2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]propanedioate
CID 130327972
N,N'-diethyl-2-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]propanediamide
CID 130327937
4-hydroxy-2,5-bis[(1-methylpyrrolidin-2-ylidene)methyl]cyclopent-4-ene-1,3-dione
CID 59887623
methanesulfonic acid;1-methyl-2-octylidenepyrrolidine
CID 175874636
N-(1-methylpyrrolidin-2-ylidene)hydroxylamine
CID 91177351
(4Z)-2,5-dimethyl-4-[(2E)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-1-sulfanylidenepyrazolidin-1-ium-3-one
CID 45045650
(4-bromophenyl)-[(E)-(1-methylpyrrolidin-2-ylidene)methyl]diazene
CID 44579142
(5Z)-3-methyl-5-[(2Z)-2-(1-methylpyrrolidin-2-ylidene)ethylidene]-2-sulfanylidene-1,3-oxazolidin-4-one
CID 7261245
2,3-dimethyl-7-methylidene-5,6-dihydro-4H-1,3-diazepine
CID 143829285
1-methylpyrrolidin-2-one;urea
CID 141281161

Frequently Asked Questions

What is the IUPAC name of ethane;(Z)-(1-methylpyrrolidin-2-ylidene)methanol?
The IUPAC name of ethane;(Z)-(1-methylpyrrolidin-2-ylidene)methanol (CID 142164978) is ethane;(Z)-(1-methylpyrrolidin-2-ylidene)methanol.
What is the SMILES notation for ethane;(Z)-(1-methylpyrrolidin-2-ylidene)methanol?
The canonical SMILES for ethane;(Z)-(1-methylpyrrolidin-2-ylidene)methanol is CC.CN1CCC/C1=C/O.
What is the InChIKey of ethane;(Z)-(1-methylpyrrolidin-2-ylidene)methanol?
The InChIKey is UHQZQVXFTYIKFM-YSMBQZINSA-N. The full InChI is InChI=1S/C6H11NO.C2H6/c1-7-4-2-3-6(7)5-8;1-2/h5,8H,2-4H2,1H3;1-2H3/b6-5-;.
What are the key properties of ethane;(Z)-(1-methylpyrrolidin-2-ylidene)methanol?
ethane;(Z)-(1-methylpyrrolidin-2-ylidene)methanol has a molecular weight of 143.23 g/mol, XLogP of 2.14, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(Z)-(1-methylpyrrolidin-2-ylidene)methanol is sourced from PubChem (CID 142164978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).