(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-1-en-2-amine

C9H16N2 — CID 177014062

IUPAC(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-1-en-2-amine
SMILESCC(C)/C(N)=C/C1=NCCC1
InChIInChI=1S/C9H16N2/c1-7(2)9(10)6-8-4-3-5-11-8/h6-7H,3-5,10H2,1-2H3/b9-6-
InChIKeyRYMFVLMBXUMRFV-TWGQIWQCSA-N
MW152.24 g/mol
LogP1.72
Rot. Bonds2

About (Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-1-en-2-amine

(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-1-en-2-amine (PubChem CID 177014062) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-1-en-2-amine.

Molecular Properties

Compound Name(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-1-en-2-amine
PubChem CID177014062
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-1-en-2-amine
SMILESCC(C)/C(N)=C/C1=NCCC1
InChIInChI=1S/C9H16N2/c1-7(2)9(10)6-8-4-3-5-11-8/h6-7H,3-5,10H2,1-2H3/b9-6-
InChIKeyRYMFVLMBXUMRFV-TWGQIWQCSA-N
XLogP1.72
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-1-en-2-amine?
The IUPAC name of (Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-1-en-2-amine (CID 177014062) is (Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-1-en-2-amine.
What is the SMILES notation for (Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-1-en-2-amine?
The canonical SMILES for (Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-1-en-2-amine is CC(C)/C(N)=C/C1=NCCC1.
What is the InChIKey of (Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-1-en-2-amine?
The InChIKey is RYMFVLMBXUMRFV-TWGQIWQCSA-N. The full InChI is InChI=1S/C9H16N2/c1-7(2)9(10)6-8-4-3-5-11-8/h6-7H,3-5,10H2,1-2H3/b9-6-.
What are the key properties of (Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-1-en-2-amine?
(Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-1-en-2-amine has a molecular weight of 152.24 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(3,4-dihydro-2H-pyrrol-5-yl)-3-methylbut-1-en-2-amine is sourced from PubChem (CID 177014062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).