4-propan-2-ylidene-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole

C10H15N — CID 123469752

IUPAC4-propan-2-ylidene-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole
SMILESC/C=C\C1=NCCC1=C(C)C
InChIInChI=1S/C10H15N/c1-4-5-10-9(8(2)3)6-7-11-10/h4-5H,6-7H2,1-3H3/b5-4-
InChIKeyMDZKCQHECMYSGD-PLNGDYQASA-N
MW149.24 g/mol
LogP2.74
Rot. Bonds1

About 4-propan-2-ylidene-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole

4-propan-2-ylidene-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole (PubChem CID 123469752) has the molecular formula C10H15N and a molecular weight of 149.24 g/mol. Its IUPAC name is 4-propan-2-ylidene-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole.

Molecular Properties

Compound Name4-propan-2-ylidene-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole
PubChem CID123469752
Molecular FormulaC10H15N
Molecular Weight149.24 g/mol
Exact Mass149.12
IUPAC Name4-propan-2-ylidene-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole
SMILESC/C=C\C1=NCCC1=C(C)C
InChIInChI=1S/C10H15N/c1-4-5-10-9(8(2)3)6-7-11-10/h4-5H,6-7H2,1-3H3/b5-4-
InChIKeyMDZKCQHECMYSGD-PLNGDYQASA-N
XLogP2.74
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.24
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-ylidene-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole?
The IUPAC name of 4-propan-2-ylidene-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole (CID 123469752) is 4-propan-2-ylidene-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole.
What is the SMILES notation for 4-propan-2-ylidene-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole?
The canonical SMILES for 4-propan-2-ylidene-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole is C/C=C\C1=NCCC1=C(C)C.
What is the InChIKey of 4-propan-2-ylidene-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole?
The InChIKey is MDZKCQHECMYSGD-PLNGDYQASA-N. The full InChI is InChI=1S/C10H15N/c1-4-5-10-9(8(2)3)6-7-11-10/h4-5H,6-7H2,1-3H3/b5-4-.
What are the key properties of 4-propan-2-ylidene-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole?
4-propan-2-ylidene-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole has a molecular weight of 149.24 g/mol, XLogP of 2.74, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-ylidene-5-[(Z)-prop-1-enyl]-2,3-dihydropyrrole is sourced from PubChem (CID 123469752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).