(3S)-3-methylpyrrol-3-amine

C5H8N2 — CID 174816173

IUPAC(3S)-3-methylpyrrol-3-amine
SMILESC[C@]1(N)C=CN=C1
InChIInChI=1S/C5H8N2/c1-5(6)2-3-7-4-5/h2-4H,6H2,1H3/t5-/m0/s1
InChIKeyDWXQVVHWLKDYKX-YFKPBYRVSA-N
MW96.13 g/mol
LogP0.30
Rot. Bonds

About (3S)-3-methylpyrrol-3-amine

(3S)-3-methylpyrrol-3-amine (PubChem CID 174816173) has the molecular formula C5H8N2 and a molecular weight of 96.13 g/mol. Its IUPAC name is (3S)-3-methylpyrrol-3-amine.

Molecular Properties

Compound Name(3S)-3-methylpyrrol-3-amine
PubChem CID174816173
Molecular FormulaC5H8N2
Molecular Weight96.13 g/mol
Exact Mass96.07
IUPAC Name(3S)-3-methylpyrrol-3-amine
SMILESC[C@]1(N)C=CN=C1
InChIInChI=1S/C5H8N2/c1-5(6)2-3-7-4-5/h2-4H,6H2,1H3/t5-/m0/s1
InChIKeyDWXQVVHWLKDYKX-YFKPBYRVSA-N
XLogP0.30
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50096.13
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(Fluoromethyl)pyrrol-3-amine
CID 141093179
3,4-Dimethylpyrrol-3-amine
CID 68265924
3-Methyl-3-thionitrosopyrrole
CID 89116332
4-methyl-3H-pyridin-4-amine
CID 89676489
(Z)-4-(ethylideneamino)-2-methylbut-3-en-2-amine
CID 129289758
5-Methyl-1,3-diazepin-5-amine
CID 139400361
N,3-dimethylpyrrol-3-amine
CID 141135416
(4S)-4-methyl-3H-pyridin-4-amine
CID 155323422
Pyrrole-3,3-diamine
CID 174916290
(3R)-3-methylpyrrol-3-amine
CID 177952610

Frequently Asked Questions

What is the IUPAC name of (3S)-3-methylpyrrol-3-amine?
The IUPAC name of (3S)-3-methylpyrrol-3-amine (CID 174816173) is (3S)-3-methylpyrrol-3-amine.
What is the SMILES notation for (3S)-3-methylpyrrol-3-amine?
The canonical SMILES for (3S)-3-methylpyrrol-3-amine is C[C@]1(N)C=CN=C1.
What is the InChIKey of (3S)-3-methylpyrrol-3-amine?
The InChIKey is DWXQVVHWLKDYKX-YFKPBYRVSA-N. The full InChI is InChI=1S/C5H8N2/c1-5(6)2-3-7-4-5/h2-4H,6H2,1H3/t5-/m0/s1.
What are the key properties of (3S)-3-methylpyrrol-3-amine?
(3S)-3-methylpyrrol-3-amine has a molecular weight of 96.13 g/mol, XLogP of 0.30, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methylpyrrol-3-amine is sourced from PubChem (CID 174816173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).