ethane;3-methyl-3-prop-1-en-2-ylpyrrolidine;molecular hydrogen

C10H23N — CID 166075553

IUPACethane;3-methyl-3-prop-1-en-2-ylpyrrolidine;molecular hydrogen
SMILESC=C(C)C1(C)CCNC1.CC.[H][H]
InChIInChI=1S/C8H15N.C2H6.H2/c1-7(2)8(3)4-5-9-6-8;1-2;/h9H,1,4-6H2,2-3H3;1-2H3;1H
InChIKeyNKYOUEXLBMZBEK-UHFFFAOYSA-N
MW157.30 g/mol
LogP2.83
Rot. Bonds1

About ethane;3-methyl-3-prop-1-en-2-ylpyrrolidine;molecular hydrogen

ethane;3-methyl-3-prop-1-en-2-ylpyrrolidine;molecular hydrogen (PubChem CID 166075553) has the molecular formula C10H23N and a molecular weight of 157.30 g/mol. Its IUPAC name is ethane;3-methyl-3-prop-1-en-2-ylpyrrolidine;molecular hydrogen.

Molecular Properties

Compound Nameethane;3-methyl-3-prop-1-en-2-ylpyrrolidine;molecular hydrogen
PubChem CID166075553
Molecular FormulaC10H23N
Molecular Weight157.30 g/mol
Exact Mass157.18
IUPAC Nameethane;3-methyl-3-prop-1-en-2-ylpyrrolidine;molecular hydrogen
SMILESC=C(C)C1(C)CCNC1.CC.[H][H]
InChIInChI=1S/C8H15N.C2H6.H2/c1-7(2)8(3)4-5-9-6-8;1-2;/h9H,1,4-6H2,2-3H3;1-2H3;1H
InChIKeyNKYOUEXLBMZBEK-UHFFFAOYSA-N
XLogP2.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.30
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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CID 116569850
3-methylidene-1-(3-methylpyrrolidin-3-yl)pentan-1-one
CID 116570154
methyl (3S)-3-methylpyrrolidine-3-carboxylate
CID 95020716
2,2-dimethyl-1-(3-methylpyrrolidin-3-yl)propan-1-one
CID 116570035
N-(2-bromoprop-2-enyl)-3-methylpyrrolidine-3-carboxamide;hydrochloride
CID 119755038
azetidin-1-yl-(3-methylpyrrolidin-3-yl)methanone
CID 130547014
1-(3-methylpyrrolidin-3-yl)pent-4-en-1-one
CID 116569923
1-(3-methylazetidin-3-yl)ethenol
CID 118185509
4-methyl-1-(3-methylpiperidin-3-yl)pent-4-en-1-one
CID 114477930
4-methyl-4-penta-2,4-dien-2-ylpiperidine
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3,3-difluoro-4-methylpiperidin-4-ol
CID 156550387

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-3-prop-1-en-2-ylpyrrolidine;molecular hydrogen?
The IUPAC name of ethane;3-methyl-3-prop-1-en-2-ylpyrrolidine;molecular hydrogen (CID 166075553) is ethane;3-methyl-3-prop-1-en-2-ylpyrrolidine;molecular hydrogen.
What is the SMILES notation for ethane;3-methyl-3-prop-1-en-2-ylpyrrolidine;molecular hydrogen?
The canonical SMILES for ethane;3-methyl-3-prop-1-en-2-ylpyrrolidine;molecular hydrogen is C=C(C)C1(C)CCNC1.CC.[H][H].
What is the InChIKey of ethane;3-methyl-3-prop-1-en-2-ylpyrrolidine;molecular hydrogen?
The InChIKey is NKYOUEXLBMZBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N.C2H6.H2/c1-7(2)8(3)4-5-9-6-8;1-2;/h9H,1,4-6H2,2-3H3;1-2H3;1H.
What are the key properties of ethane;3-methyl-3-prop-1-en-2-ylpyrrolidine;molecular hydrogen?
ethane;3-methyl-3-prop-1-en-2-ylpyrrolidine;molecular hydrogen has a molecular weight of 157.30 g/mol, XLogP of 2.83, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-3-prop-1-en-2-ylpyrrolidine;molecular hydrogen is sourced from PubChem (CID 166075553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).