(3Z)-N-(3-methylbut-1-en-2-yl)-3-prop-2-enylidenepyrrol-2-amine

C12H16N2 — CID 166896588

IUPAC(3Z)-N-(3-methylbut-1-en-2-yl)-3-prop-2-enylidenepyrrol-2-amine
SMILESC=C/C=C1/C=CN=C1NC(=C)C(C)C
InChIInChI=1S/C12H16N2/c1-5-6-11-7-8-13-12(11)14-10(4)9(2)3/h5-9H,1,4H2,2-3H3,(H,13,14)/b11-6-
InChIKeyDLDMDSFAMZKOQC-WDZFZDKYSA-N
MW188.27 g/mol
LogP2.78
Rot. Bonds3

About (3Z)-N-(3-methylbut-1-en-2-yl)-3-prop-2-enylidenepyrrol-2-amine

(3Z)-N-(3-methylbut-1-en-2-yl)-3-prop-2-enylidenepyrrol-2-amine (PubChem CID 166896588) has the molecular formula C12H16N2 and a molecular weight of 188.27 g/mol. Its IUPAC name is (3Z)-N-(3-methylbut-1-en-2-yl)-3-prop-2-enylidenepyrrol-2-amine.

Molecular Properties

Compound Name(3Z)-N-(3-methylbut-1-en-2-yl)-3-prop-2-enylidenepyrrol-2-amine
PubChem CID166896588
Molecular FormulaC12H16N2
Molecular Weight188.27 g/mol
Exact Mass188.13
IUPAC Name(3Z)-N-(3-methylbut-1-en-2-yl)-3-prop-2-enylidenepyrrol-2-amine
SMILESC=C/C=C1/C=CN=C1NC(=C)C(C)C
InChIInChI=1S/C12H16N2/c1-5-6-11-7-8-13-12(11)14-10(4)9(2)3/h5-9H,1,4H2,2-3H3,(H,13,14)/b11-6-
InChIKeyDLDMDSFAMZKOQC-WDZFZDKYSA-N
XLogP2.78
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3Z)-N-(3-methylbut-1-en-2-yl)-3-prop-2-enylidenepyrrol-2-amine?
The IUPAC name of (3Z)-N-(3-methylbut-1-en-2-yl)-3-prop-2-enylidenepyrrol-2-amine (CID 166896588) is (3Z)-N-(3-methylbut-1-en-2-yl)-3-prop-2-enylidenepyrrol-2-amine.
What is the SMILES notation for (3Z)-N-(3-methylbut-1-en-2-yl)-3-prop-2-enylidenepyrrol-2-amine?
The canonical SMILES for (3Z)-N-(3-methylbut-1-en-2-yl)-3-prop-2-enylidenepyrrol-2-amine is C=C/C=C1/C=CN=C1NC(=C)C(C)C.
What is the InChIKey of (3Z)-N-(3-methylbut-1-en-2-yl)-3-prop-2-enylidenepyrrol-2-amine?
The InChIKey is DLDMDSFAMZKOQC-WDZFZDKYSA-N. The full InChI is InChI=1S/C12H16N2/c1-5-6-11-7-8-13-12(11)14-10(4)9(2)3/h5-9H,1,4H2,2-3H3,(H,13,14)/b11-6-.
What are the key properties of (3Z)-N-(3-methylbut-1-en-2-yl)-3-prop-2-enylidenepyrrol-2-amine?
(3Z)-N-(3-methylbut-1-en-2-yl)-3-prop-2-enylidenepyrrol-2-amine has a molecular weight of 188.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-(3-methylbut-1-en-2-yl)-3-prop-2-enylidenepyrrol-2-amine is sourced from PubChem (CID 166896588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).