2-methylguanidine;1-(1-methylpyrrolidin-2-yl)ethanone

C9H20N4O — CID 143816509

IUPAC2-methylguanidine;1-(1-methylpyrrolidin-2-yl)ethanone
SMILESCC(=O)C1CCCN1C.CN=C(N)N
InChIInChI=1S/C7H13NO.C2H7N3/c1-6(9)7-4-3-5-8(7)2;1-5-2(3)4/h7H,3-5H2,1-2H3;1H3,(H4,3,4,5)
InChIKeyHQKRFDHTARXNKQ-UHFFFAOYSA-N
MW200.29 g/mol
LogP-0.44
Rot. Bonds1

About 2-methylguanidine;1-(1-methylpyrrolidin-2-yl)ethanone

2-methylguanidine;1-(1-methylpyrrolidin-2-yl)ethanone (PubChem CID 143816509) has the molecular formula C9H20N4O and a molecular weight of 200.29 g/mol. Its IUPAC name is 2-methylguanidine;1-(1-methylpyrrolidin-2-yl)ethanone.

Molecular Properties

Compound Name2-methylguanidine;1-(1-methylpyrrolidin-2-yl)ethanone
PubChem CID143816509
Molecular FormulaC9H20N4O
Molecular Weight200.29 g/mol
Exact Mass200.16
IUPAC Name2-methylguanidine;1-(1-methylpyrrolidin-2-yl)ethanone
SMILESCC(=O)C1CCCN1C.CN=C(N)N
InChIInChI=1S/C7H13NO.C2H7N3/c1-6(9)7-4-3-5-8(7)2;1-5-2(3)4/h7H,3-5H2,1-2H3;1H3,(H4,3,4,5)
InChIKeyHQKRFDHTARXNKQ-UHFFFAOYSA-N
XLogP-0.44
TPSA84.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.29
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-methylpyrrolidine-2-carboxamide
CID 14245857
butan-2-one;ethane;1-(1-methylpyrrolidin-2-yl)ethanone
CID 91387688
1-methylpyrrolidine-2-carboxamide;hydrochloride
CID 66716063
(2R)-1-methylpiperidine-2-carboxylic acid;1-[(2R)-1-methylpiperidin-2-yl]ethanone
CID 160589871
ethane;1-(1-methylpyrrolidin-2-yl)ethanone;propanal
CID 143105451
2-methoxyacetic acid;1-(1-methylpyrrolidin-2-yl)ethanone
CID 143816508
N-(1-aminoethylidene)-1-methylpiperidine-2-carboxamide
CID 144817633
(2S)-1-methylpyrrolidine-2-carboxylic acid
CID 158548617
methyl 1-methylpyrrolidine-2-carboxylate
CID 529062
2-amino-1-(1-methylpyrrolidin-2-yl)ethanone
CID 83479164
ethane;1-methylpiperidine-2-carboxamide
CID 143592848
(2R)-N-methoxy-1-methylpyrrolidine-2-carboxamide
CID 87416878

Frequently Asked Questions

What is the IUPAC name of 2-methylguanidine;1-(1-methylpyrrolidin-2-yl)ethanone?
The IUPAC name of 2-methylguanidine;1-(1-methylpyrrolidin-2-yl)ethanone (CID 143816509) is 2-methylguanidine;1-(1-methylpyrrolidin-2-yl)ethanone.
What is the SMILES notation for 2-methylguanidine;1-(1-methylpyrrolidin-2-yl)ethanone?
The canonical SMILES for 2-methylguanidine;1-(1-methylpyrrolidin-2-yl)ethanone is CC(=O)C1CCCN1C.CN=C(N)N.
What is the InChIKey of 2-methylguanidine;1-(1-methylpyrrolidin-2-yl)ethanone?
The InChIKey is HQKRFDHTARXNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.C2H7N3/c1-6(9)7-4-3-5-8(7)2;1-5-2(3)4/h7H,3-5H2,1-2H3;1H3,(H4,3,4,5).
What are the key properties of 2-methylguanidine;1-(1-methylpyrrolidin-2-yl)ethanone?
2-methylguanidine;1-(1-methylpyrrolidin-2-yl)ethanone has a molecular weight of 200.29 g/mol, XLogP of -0.44, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylguanidine;1-(1-methylpyrrolidin-2-yl)ethanone is sourced from PubChem (CID 143816509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).