(3Z)-3-ethylidene-N-(3-methylpent-1-en-2-yl)pyrrol-2-amine

C12H18N2 — CID 134511700

IUPAC(3Z)-3-ethylidene-N-(3-methylpent-1-en-2-yl)pyrrol-2-amine
SMILESC=C(NC1=NC=C/C1=C/C)C(C)CC
InChIInChI=1S/C12H18N2/c1-5-9(3)10(4)14-12-11(6-2)7-8-13-12/h6-9H,4-5H2,1-3H3,(H,13,14)/b11-6-
InChIKeySPVVHJBMFNVDAR-WDZFZDKYSA-N
MW190.29 g/mol
LogP3.01
Rot. Bonds3

About (3Z)-3-ethylidene-N-(3-methylpent-1-en-2-yl)pyrrol-2-amine

(3Z)-3-ethylidene-N-(3-methylpent-1-en-2-yl)pyrrol-2-amine (PubChem CID 134511700) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is (3Z)-3-ethylidene-N-(3-methylpent-1-en-2-yl)pyrrol-2-amine.

Molecular Properties

Compound Name(3Z)-3-ethylidene-N-(3-methylpent-1-en-2-yl)pyrrol-2-amine
PubChem CID134511700
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name(3Z)-3-ethylidene-N-(3-methylpent-1-en-2-yl)pyrrol-2-amine
SMILESC=C(NC1=NC=C/C1=C/C)C(C)CC
InChIInChI=1S/C12H18N2/c1-5-9(3)10(4)14-12-11(6-2)7-8-13-12/h6-9H,4-5H2,1-3H3,(H,13,14)/b11-6-
InChIKeySPVVHJBMFNVDAR-WDZFZDKYSA-N
XLogP3.01
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-ethylidene-N-(3-methylpent-1-en-2-yl)pyrrol-2-amine?
The IUPAC name of (3Z)-3-ethylidene-N-(3-methylpent-1-en-2-yl)pyrrol-2-amine (CID 134511700) is (3Z)-3-ethylidene-N-(3-methylpent-1-en-2-yl)pyrrol-2-amine.
What is the SMILES notation for (3Z)-3-ethylidene-N-(3-methylpent-1-en-2-yl)pyrrol-2-amine?
The canonical SMILES for (3Z)-3-ethylidene-N-(3-methylpent-1-en-2-yl)pyrrol-2-amine is C=C(NC1=NC=C/C1=C/C)C(C)CC.
What is the InChIKey of (3Z)-3-ethylidene-N-(3-methylpent-1-en-2-yl)pyrrol-2-amine?
The InChIKey is SPVVHJBMFNVDAR-WDZFZDKYSA-N. The full InChI is InChI=1S/C12H18N2/c1-5-9(3)10(4)14-12-11(6-2)7-8-13-12/h6-9H,4-5H2,1-3H3,(H,13,14)/b11-6-.
What are the key properties of (3Z)-3-ethylidene-N-(3-methylpent-1-en-2-yl)pyrrol-2-amine?
(3Z)-3-ethylidene-N-(3-methylpent-1-en-2-yl)pyrrol-2-amine has a molecular weight of 190.29 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-ethylidene-N-(3-methylpent-1-en-2-yl)pyrrol-2-amine is sourced from PubChem (CID 134511700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).