3-methyl-2-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine

C8H14N2 — CID 18428621

IUPAC3-methyl-2-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESC=CCC1N=C(N)CC1C
InChIInChI=1S/C8H14N2/c1-3-4-7-6(2)5-8(9)10-7/h3,6-7H,1,4-5H2,2H3,(H2,9,10)
InChIKeySRZVHOKCBDKFMG-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.33
Rot. Bonds2

About 3-methyl-2-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine

3-methyl-2-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine (PubChem CID 18428621) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-methyl-2-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine.

Molecular Properties

Compound Name3-methyl-2-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine
PubChem CID18428621
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-methyl-2-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine
SMILESC=CCC1N=C(N)CC1C
InChIInChI=1S/C8H14N2/c1-3-4-7-6(2)5-8(9)10-7/h3,6-7H,1,4-5H2,2H3,(H2,9,10)
InChIKeySRZVHOKCBDKFMG-UHFFFAOYSA-N
XLogP1.33
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine?
The IUPAC name of 3-methyl-2-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine (CID 18428621) is 3-methyl-2-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine.
What is the SMILES notation for 3-methyl-2-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine?
The canonical SMILES for 3-methyl-2-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine is C=CCC1N=C(N)CC1C.
What is the InChIKey of 3-methyl-2-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine?
The InChIKey is SRZVHOKCBDKFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-3-4-7-6(2)5-8(9)10-7/h3,6-7H,1,4-5H2,2H3,(H2,9,10).
What are the key properties of 3-methyl-2-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine?
3-methyl-2-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine has a molecular weight of 138.21 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-prop-2-enyl-3,4-dihydro-2H-pyrrol-5-amine is sourced from PubChem (CID 18428621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).