4-methylidene-3-prop-1-en-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine

C11H14N2 — CID 145471931

IUPAC4-methylidene-3-prop-1-en-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine
SMILESC=C(C)C1=CN=C2CCCN2C1=C
InChIInChI=1S/C11H14N2/c1-8(2)10-7-12-11-5-4-6-13(11)9(10)3/h7H,1,3-6H2,2H3
InChIKeySGYDHTKMVQHVKZ-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.47
Rot. Bonds1

About 4-methylidene-3-prop-1-en-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine

4-methylidene-3-prop-1-en-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine (PubChem CID 145471931) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 4-methylidene-3-prop-1-en-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine.

Molecular Properties

Compound Name4-methylidene-3-prop-1-en-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine
PubChem CID145471931
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name4-methylidene-3-prop-1-en-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine
SMILESC=C(C)C1=CN=C2CCCN2C1=C
InChIInChI=1S/C11H14N2/c1-8(2)10-7-12-11-5-4-6-13(11)9(10)3/h7H,1,3-6H2,2H3
InChIKeySGYDHTKMVQHVKZ-UHFFFAOYSA-N
XLogP2.47
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-3-prop-1-en-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine?
The IUPAC name of 4-methylidene-3-prop-1-en-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine (CID 145471931) is 4-methylidene-3-prop-1-en-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine.
What is the SMILES notation for 4-methylidene-3-prop-1-en-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine?
The canonical SMILES for 4-methylidene-3-prop-1-en-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine is C=C(C)C1=CN=C2CCCN2C1=C.
What is the InChIKey of 4-methylidene-3-prop-1-en-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine?
The InChIKey is SGYDHTKMVQHVKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-8(2)10-7-12-11-5-4-6-13(11)9(10)3/h7H,1,3-6H2,2H3.
What are the key properties of 4-methylidene-3-prop-1-en-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine?
4-methylidene-3-prop-1-en-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine has a molecular weight of 174.25 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-3-prop-1-en-2-yl-7,8-dihydro-6H-pyrrolo[1,2-a]pyrimidine is sourced from PubChem (CID 145471931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).