(3Z)-N-ethyl-3-propylidene-1H-pyrrol-2-imine;molecular hydrogen

C9H16N2 — CID 145143773

IUPAC(3Z)-N-ethyl-3-propylidene-1H-pyrrol-2-imine;molecular hydrogen
SMILESCC/C=C1/C=CN/C1=N\CC.[H][H]
InChIInChI=1S/C9H14N2.H2/c1-3-5-8-6-7-11-9(8)10-4-2;/h5-7H,3-4H2,1-2H3,(H,10,11);1H/b8-5-;
InChIKeyXRGZLCQEPLCLDM-HGKIGUAWSA-N
MW152.24 g/mol
LogP2.10
Rot. Bonds2

About (3Z)-N-ethyl-3-propylidene-1H-pyrrol-2-imine;molecular hydrogen

(3Z)-N-ethyl-3-propylidene-1H-pyrrol-2-imine;molecular hydrogen (PubChem CID 145143773) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is (3Z)-N-ethyl-3-propylidene-1H-pyrrol-2-imine;molecular hydrogen.

Molecular Properties

Compound Name(3Z)-N-ethyl-3-propylidene-1H-pyrrol-2-imine;molecular hydrogen
PubChem CID145143773
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name(3Z)-N-ethyl-3-propylidene-1H-pyrrol-2-imine;molecular hydrogen
SMILESCC/C=C1/C=CN/C1=N\CC.[H][H]
InChIInChI=1S/C9H14N2.H2/c1-3-5-8-6-7-11-9(8)10-4-2;/h5-7H,3-4H2,1-2H3,(H,10,11);1H/b8-5-;
InChIKeyXRGZLCQEPLCLDM-HGKIGUAWSA-N
XLogP2.10
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

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CID 124016420
(3Z)-3-ethylidene-N-(1-fluoroethyl)-1H-pyrrol-2-imine
CID 173810774
(3Z)-3-ethylidene-N-(fluoromethyl)-1H-pyrrol-2-imine
CID 173891209
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CID 142308840
N-[(E)-2-fluoroprop-1-enyl]-3-methylidene-1H-pyrrol-2-imine
CID 145149501
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CID 89012886
(3Z)-4-(aminomethyl)-N-ethenyl-3-ethylidenepyrrol-2-amine
CID 89289290
2-[(4Z)-5-(ethenylamino)-4-ethylidenepyrrol-3-yl]acetonitrile
CID 89293977
6-ethenyl-3-methylidene-5-N-propan-2-ylazepine-2,5-diamine
CID 90126466
2-methylidene-N-prop-1-enyl-N'-propylbutanimidamide
CID 90783163
8-methyl-4H-cyclopenta[c][1,8]naphthyridine
CID 91205102

Frequently Asked Questions

What is the IUPAC name of (3Z)-N-ethyl-3-propylidene-1H-pyrrol-2-imine;molecular hydrogen?
The IUPAC name of (3Z)-N-ethyl-3-propylidene-1H-pyrrol-2-imine;molecular hydrogen (CID 145143773) is (3Z)-N-ethyl-3-propylidene-1H-pyrrol-2-imine;molecular hydrogen.
What is the SMILES notation for (3Z)-N-ethyl-3-propylidene-1H-pyrrol-2-imine;molecular hydrogen?
The canonical SMILES for (3Z)-N-ethyl-3-propylidene-1H-pyrrol-2-imine;molecular hydrogen is CC/C=C1/C=CN/C1=N\CC.[H][H].
What is the InChIKey of (3Z)-N-ethyl-3-propylidene-1H-pyrrol-2-imine;molecular hydrogen?
The InChIKey is XRGZLCQEPLCLDM-HGKIGUAWSA-N. The full InChI is InChI=1S/C9H14N2.H2/c1-3-5-8-6-7-11-9(8)10-4-2;/h5-7H,3-4H2,1-2H3,(H,10,11);1H/b8-5-;.
What are the key properties of (3Z)-N-ethyl-3-propylidene-1H-pyrrol-2-imine;molecular hydrogen?
(3Z)-N-ethyl-3-propylidene-1H-pyrrol-2-imine;molecular hydrogen has a molecular weight of 152.24 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-N-ethyl-3-propylidene-1H-pyrrol-2-imine;molecular hydrogen is sourced from PubChem (CID 145143773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).