3-[(S)-amino(cyclopropyl)methyl]-6-methyl-1H-pyridin-2-one

C10H14N2O — CID 130611322

IUPAC3-[(S)-amino(cyclopropyl)methyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc([C@@H](N)C2CC2)c(=O)[nH]1
InChIInChI=1S/C10H14N2O/c1-6-2-5-8(10(13)12-6)9(11)7-3-4-7/h2,5,7,9H,3-4,11H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyUPXLKPNQHNXGQX-VIFPVBQESA-N
MW178.24 g/mol
LogP1.09
Rot. Bonds2

About 3-[(S)-amino(cyclopropyl)methyl]-6-methyl-1H-pyridin-2-one

3-[(S)-amino(cyclopropyl)methyl]-6-methyl-1H-pyridin-2-one (PubChem CID 130611322) has the molecular formula C10H14N2O and a molecular weight of 178.24 g/mol. Its IUPAC name is 3-[(S)-amino(cyclopropyl)methyl]-6-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-[(S)-amino(cyclopropyl)methyl]-6-methyl-1H-pyridin-2-one
PubChem CID130611322
Molecular FormulaC10H14N2O
Molecular Weight178.24 g/mol
Exact Mass178.11
IUPAC Name3-[(S)-amino(cyclopropyl)methyl]-6-methyl-1H-pyridin-2-one
SMILESCc1ccc([C@@H](N)C2CC2)c(=O)[nH]1
InChIInChI=1S/C10H14N2O/c1-6-2-5-8(10(13)12-6)9(11)7-3-4-7/h2,5,7,9H,3-4,11H2,1H3,(H,12,13)/t9-/m0/s1
InChIKeyUPXLKPNQHNXGQX-VIFPVBQESA-N
XLogP1.09
TPSA58.88 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.24
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(1R)-1-aminopropyl]-6-methyl-1H-pyridin-2-one
CID 131071334
3-[(R)-amino(cyclopropyl)methyl]-2,6-dimethyl-1H-pyridin-4-one
CID 55276315
(R)-cyclopropyl-(2,6-dimethyl-3-pyridinyl)methanamine
CID 55262974
3-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one
CID 130706241
(2-chloro-4-methylphenyl)-cyclopropylmethanamine
CID 55268482
(R)-cyclopropyl-(2,3-dimethylphenyl)methanamine
CID 55278882
piperidin-4-yl-(2,3,4-trimethylphenyl)methanamine
CID 116935917
2-[amino(cyclopropyl)methyl]-4-methylaniline
CID 55282362
cyclopropyl-(6-methoxy-2-methyl-3-pyridinyl)methanamine
CID 55296471
(2-methylthiophen-3-yl)-(4-propan-2-ylcyclohexyl)methanamine
CID 102832815
3-amino-5-[(R)-amino(cyclopropyl)methyl]-1H-pyridin-4-one
CID 130623515
6-[(S)-amino(cyclopropyl)methyl]-3-methyl-2-nitrophenol
CID 131556344

Frequently Asked Questions

What is the IUPAC name of 3-[(S)-amino(cyclopropyl)methyl]-6-methyl-1H-pyridin-2-one?
The IUPAC name of 3-[(S)-amino(cyclopropyl)methyl]-6-methyl-1H-pyridin-2-one (CID 130611322) is 3-[(S)-amino(cyclopropyl)methyl]-6-methyl-1H-pyridin-2-one.
What is the SMILES notation for 3-[(S)-amino(cyclopropyl)methyl]-6-methyl-1H-pyridin-2-one?
The canonical SMILES for 3-[(S)-amino(cyclopropyl)methyl]-6-methyl-1H-pyridin-2-one is Cc1ccc([C@@H](N)C2CC2)c(=O)[nH]1.
What is the InChIKey of 3-[(S)-amino(cyclopropyl)methyl]-6-methyl-1H-pyridin-2-one?
The InChIKey is UPXLKPNQHNXGQX-VIFPVBQESA-N. The full InChI is InChI=1S/C10H14N2O/c1-6-2-5-8(10(13)12-6)9(11)7-3-4-7/h2,5,7,9H,3-4,11H2,1H3,(H,12,13)/t9-/m0/s1.
What are the key properties of 3-[(S)-amino(cyclopropyl)methyl]-6-methyl-1H-pyridin-2-one?
3-[(S)-amino(cyclopropyl)methyl]-6-methyl-1H-pyridin-2-one has a molecular weight of 178.24 g/mol, XLogP of 1.09, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(S)-amino(cyclopropyl)methyl]-6-methyl-1H-pyridin-2-one is sourced from PubChem (CID 130611322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).